SCHEMBL8716707

SCHEMBL8716707

CCOC(=O)c1cc2cc(C(N)=S)cnc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 4/20 0.38
AKR1B1 P15121 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MAPT P10636 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7418388 0.88 MAOB (0.47) KDM4EALDH1A1HPGDCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8712518 0.88 F10 (0.42) KDM4EALDH1A1HPGDCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10869715 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL8718715 0.76 KDM4E (0.42) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL10869761 0.75 MAPT (0.50) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL8903559 0.72 KDM4E (0.39) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL843120 0.72 KDM4E (0.49) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL2847572 0.71 MAOB (0.46) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL28156452 0.70 MAOB (0.48) CYP2C9CYP2C19CYP1A2MAOBNPC1
SCHEMBL28182751 0.69 MEN1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2MAOB

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