SCHEMBL21394761

SCHEMBL21394761

Cn1cc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)cn2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
F10 P00742 3/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
SCD O00767 1/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL29357123 1.00 MAOB (0.42) MAOBF10RAB9ANPC1SMN1; SMN2
SCHEMBL21394480 0.91 MAPT (0.44) MAOBF10RAB9ASMN1; SMN2TP53
SCHEMBL29357606 0.91 MAPT (0.44) MAOBF10RAB9ASMN1; SMN2TP53
SCHEMBL21395001 0.90 RAB9A (0.41) F10RAB9ANPC1SMN1; SMN2TP53
SCHEMBL21394506 0.89 RAB9A (0.49) F10RAB9ANPC1SMN1; SMN2TP53
SCHEMBL29356581 0.89 MAPT (0.46) MAOBF10RAB9ANPC1SMN1; SMN2
SCHEMBL21394451 0.89 MAPT (0.46) MAOBF10RAB9ANPC1SMN1; SMN2
SCHEMBL29356712 0.87 SMN1; SMN2 (0.44) F10RAB9ANPC1SMN1; SMN2TP53
SCHEMBL21394842 0.87 SMN1; SMN2 (0.44) F10RAB9ANPC1SMN1; SMN2TP53
SCHEMBL21394825 0.87 ALDH1A1 (0.48) F10RAB9ANPC1SMN1; SMN2TP53

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