SCHEMBL21394615

SCHEMBL21394615

Cn1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)cc(F)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.45
RAB9A P51151 9/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 4/20 0.45
PKM P14618 3/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SNCA P37840 1/20 0.40
TP53 P04637 3/20 0.40
AHR P35869 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FSCN1 Q16658 1/20 0.39
BRD4 O60885 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL21394646 0.91 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL29356642 0.90 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394476 0.90 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394601 0.87 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL29356936 0.87 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394921 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21395080 0.83 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21395156 0.82 KDM4E (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21395153 0.81 BRD4 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394786 0.81 AHR (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1PKM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed