SCHEMBL7974855

SCHEMBL7974855

CCOc1ccc(OC(=O)NC(=N)c2cc[c]cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLK1 P53350 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
FAAH O00519 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 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
SCHEMBL7985763 0.90 FAAH (0.47) KMT2AMEN1CYP1A2CYP2C19PLK1
SCHEMBL7986382 0.90 FAAH (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7985699 0.87 FAAH (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7993033 0.86 RAB9A (0.48) PLK1FAAHNPC1RAB9ALMNA
SCHEMBL7974771 0.86 FAAH (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7985660 0.86 FAAH (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7975359 0.86 FAAH (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7988304 0.85 SMN1; SMN2 (0.44) CYP1A2GAACYP2D6CYP2C9CYP2C19
SCHEMBL7989521 0.85 LMNA (0.42) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL7986173 0.84 THRB (0.46) KMT2AGAAPLK1FAAHNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed