SCHEMBL866607

SCHEMBL866607

COC(=O)c1cccn1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
PKM P14618 2/20 0.58
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28615412 0.82 NPC1 (0.49) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL3522473 0.81 RAB9A (0.49) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11178223 0.80 RAB9A (0.56) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL22888354 0.79 TSHR (0.59) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL28597061 0.79 NPC1 (0.54) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2399420 0.79 NPC1 (0.57) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2391593 0.78 NPC1 (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL526662 0.78 SMN1; SMN2 (0.58) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL9337819 0.78 RAB9A (0.61) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL1962839 0.78 KDM4E (0.42) RAB9ANPC1NFKB1NFKB2RELA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 257 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-114907345-A Piperidine-benzodiazepine compound having anti-proliferative activity 福姆通格尼克斯有限公司 2022-08-16 CN claimed
CN-122059923-A Aldehyde group-guided bi (hetero) aromatic compound and synthesis method and application thereof 桂林理工大学 2026-05-19 CN disclosed
CN-119836305-A Antibody-drug conjugates 费恩治疗有限公司 2025-04-15 CN disclosed
CN-119836306-A Antibody drug conjugates that bind CDCP1 and uses thereof 费恩治疗有限公司 2025-04-15 CN disclosed
EP-3879617-B1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME LG ENERGY SOLUTION LTD (KR) 2025-04-02 EP disclosed
CN-119684317-A Macrocyclic compound and application thereof 郑州德迈药业有限公司 2025-03-25 CN disclosed
WO-2024260023-A1 CYCLIC Α-HYDROXYIMIDE COMPOUND AND USE THEREOF 北京英飞智药科技有限公司 2024-12-26 WO disclosed
CN-113544129-B Tricyclic compound preparation method and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-07-23 CN disclosed
CN-115093355-B Preparation method of pyrrole ester compound 河南农业大学 2024-06-04 CN disclosed
CN-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 CN disclosed
EP-0072013-B1 PYRROLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS MERCK & CO. INC. (US) 1986-04-16 EP disclosed
US-4440779-A Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO., INC. (US) 1984-04-03 US disclosed
US-4434175-A 5-AROYL-PYRROLE ALKANOIC ACIDS MERCK & CO., INC. (US) 1984-02-28 US disclosed
US-4380645-A ETHERIFICATION, SULFIDING MERCK & CO., INC. (US) 1983-04-19 US disclosed
EP-0072013-A1 Pyrrole compounds as anti-inflammatory and analgesic agents MERCK & CO. INC. (US) 1983-02-16 EP disclosed
EP-0068460-A1 Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO. INC. (US) 1983-01-05 EP disclosed
US-4256759-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
US-4194003-A New pyrrole derivatives, process for their preparation and therapeutic applications thereof ALBERT ROLLAND S.A. (FR) 1980-03-18 US disclosed
US-4031226-A ANTIEMETIC, PSYCHOTROPIC JANSSEN PHARMACEUTICA N.V. (BE) 1977-06-21 US disclosed