SCHEMBL30740239

SCHEMBL30740239

Cc1c(Cl)cccc1-c1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.47
SPR P35270 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDCD1 Q15116 5/20 0.43
CD274 Q9NZQ7 5/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MKNK1 Q9BUB5 3/20 0.42
MAPT P10636 2/20 0.41
ESR2 Q92731 1/20 0.40
ADORA1 P30542 1/20 0.40
PDK4 Q16654 1/20 0.40
GCK P35557 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL19549674 1.00 GRAMD1A (0.47) GRAMD1ASPRFGFR3KDRNPC1
SCHEMBL30145292 0.91 HTR2C (0.41) GRAMD1ASPRFGFR3KDRPDCD1
SCHEMBL20293398 0.91 HTR2C (0.41) GRAMD1ASPRFGFR3KDRPDCD1
SCHEMBL30504508 0.88 GRAMD1A (0.47) GRAMD1AFGFR3KDRNPC1RAB9A
SCHEMBL30504550 0.88 GRAMD1A (0.47) GRAMD1AFGFR3KDRNPC1RAB9A
SCHEMBL19549712 0.87 PDCD1 (0.57) GRAMD1AFGFR3KDRNPC1RAB9A
SCHEMBL19549681 0.85 GRAMD1A (0.47) GRAMD1AFGFR3KDRNPC1RAB9A
SCHEMBL19549770 0.84 PDCD1 (0.54) GRAMD1AFGFR3KDRNPC1RAB9A
SCHEMBL6223701 0.84 GRAMD1A (0.50) GRAMD1AFGFR3KDRNPC1RAB9A
SCHEMBL19549886 0.82 GRAMD1A (0.42) GRAMD1AFGFR3KDRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed