SCHEMBL21394975

SCHEMBL21394975

O=C(Nc1ccc(Cc2ccc(F)c(Cl)c2)cn1)c1ccc(=O)n(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 2/20 0.42
KCNJ5 P48544 2/20 0.42
KCNJ3 P48549 2/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EGFR P00533 1/20 0.36
FSCN1 Q16658 1/20 0.36
MAPK1 P28482 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPY5R Q15761 1/20 0.35
RIPK1 Q13546 1/20 0.35
F10 P00742 1/20 0.35
RPS6KA1 Q15418 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL29356900 1.00 KCNJ6 (0.42) KCNJ6KCNJ5KCNJ3NPC1RAB9A
SCHEMBL29353830 0.88 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TSHRNPY5R
SCHEMBL21394620 0.88 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TSHRNPY5R
SCHEMBL21394766 0.88 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2TSHRF10
SCHEMBL21384487 0.87 ABCC8 (0.43) NPC1RAB9ASMN1; SMN2TSHRNPY5R
SCHEMBL29353780 0.87 ABCC8 (0.43) NPC1RAB9ASMN1; SMN2TSHRNPY5R
SCHEMBL29356645 0.85 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2TSHRHDAC3
SCHEMBL21394832 0.85 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2TSHRHDAC3
SCHEMBL21394503 0.84 ABCC8 (0.42) NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL21394578 0.77 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2TSHRTDP1

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 7 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
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-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed