SCHEMBL8715729

SCHEMBL8715729

Cc1c(C(=O)N[C@H]2CC[C@H](OCC(=O)O)CC2)oc2ccc(C(=N)N)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCHR1 Q99705 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F2 P00734 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
SCHEMBL8904039 1.00 NPC1 (0.49) NPC1RAB9ATDP1KDM4EALDH1A1
SCHEMBL8904560 0.89 ITGB3 (0.43) NPC1RAB9ATDP1KDM4EALDH1A1
SCHEMBL8713033 0.89 ITGB3 (0.43) NPC1RAB9ATDP1KDM4EALDH1A1
SCHEMBL8906270 0.89 NPC1 (0.46) NPC1RAB9ATDP1KDM4EALDH1A1
SCHEMBL8715011 0.89 NPC1 (0.46) NPC1RAB9ATDP1KDM4EALDH1A1
SCHEMBL8904049 0.86 ITGB3 (0.45) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8904580 0.83 ITGB3 (0.44) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8716704 0.81 F2 (0.55) NPC1RAB9AITGB3ITGA2BF2
SCHEMBL8904670 0.81 F2 (0.55) NPC1RAB9AITGB3ITGA2BF2
SCHEMBL8904683 0.79 ITGB3 (0.43) ITGB3ITGA2BF2TPSAB1TPSD1

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed