SCHEMBL29757489

SCHEMBL29757489

CC(=O)c1cc(Cl)cnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
PTK2 Q05397 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NNMT P40261 1/20 0.36
CRHR1 P34998 1/20 0.36
KDR P35968 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL4971916 1.00 MAPK1 (0.40) MAPK1PTK2SMN1; SMN2RAB9ANPC1
SCHEMBL24405763 0.82 SMN1; SMN2 (0.52) MAPK1PTK2SMN1; SMN2RAB9ANPC1
SCHEMBL28007123 0.82 KDR (0.50) MAPK1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL915781 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HPGDKDM4EHCAR2HSD17B10
SCHEMBL29378297 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HPGDKDM4EHCAR2HSD17B10
SCHEMBL1160933 0.81 HCAR2 (0.36) PTK2SMN1; SMN2HPGDCRHR1KDR
SCHEMBL29608609 0.81 HCAR2 (0.36) PTK2SMN1; SMN2HPGDCRHR1KDR
SCHEMBL31382687 0.80 SCN9A (0.39) MAPK1PTK2SMN1; SMN2RAB9ANPC1
SCHEMBL18124622 0.80 KDR (0.49) MAPK1PTK2SMN1; SMN2RAB9ANPC1
SCHEMBL4869343 0.80 SCN9A (0.39) MAPK1PTK2SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728168-B Triazole carbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2024-04-09 CN disclosed
EP-4058144-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF Gilead Sciences, Inc. (US) 2022-09-21 EP disclosed
CN-114728168-A Triazolecarbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2022-07-08 CN disclosed