SCHEMBL21394786

SCHEMBL21394786

Cn1cccc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.45
SCD O00767 1/20 0.43
MAPT P10636 3/20 0.42
FSCN1 Q16658 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
MAP3K5 Q99683 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR6 P46095 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL29353805 1.00 AHR (0.45) AHRSCDMAPTFSCN1SMN1; SMN2
SCHEMBL21395014 0.85 AHR (0.44) AHRSCDFSCN1SMN1; SMN2NPC1
SCHEMBL21394647 0.82 AHR (0.46) AHRMAPTFSCN1SMN1; SMN2NPC1
SCHEMBL21394601 0.82 NPC1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL29356936 0.82 NPC1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL21394921 0.82 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL21394615 0.81 NPC1 (0.45) AHRFSCN1SMN1; SMN2NPC1RAB9A
SCHEMBL21394646 0.80 RAB9A (0.44) AHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21394994 0.80 AHR (0.42) AHRFSCN1SMN1; SMN2NPC1RAB9A
SCHEMBL21394523 0.80 NPC1 (0.42) AHRSMN1; SMN2NPC1RAB9AALDH1A1

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