SCHEMBL7984791

SCHEMBL7984791

Cc1ccccc1Cn1cnc2[nH]c(-c3ccccc3)nc(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 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
SCHEMBL7974083 0.86 ACP1 (0.43) SMN1; SMN2ALDH1A1PARNCNOT7CYP2C9
SCHEMBL7987224 0.86 LMNA (0.44) ALDH1A1PARNCNOT7P2RX7LMNA
SCHEMBL7975271 0.84 CNOT7 (0.56) SMN1; SMN2ALDH1A1PARNCNOT7KMT2A
SCHEMBL7984720 0.84 CNOT7 (0.48) SMN1; SMN2CYP11B1CYP11B2ALDH1A1PARN
SCHEMBL7988495 0.83 ADORA2B (0.46) SMN1; SMN2ALDH1A1PARNCNOT7TSHR
SCHEMBL7988887 0.82 SMN1; SMN2 (0.46) SMN1; SMN2CYP11B1CYP11B2ALDH1A1THRB
SCHEMBL7984786 0.81 SMN1; SMN2 (0.45) SMN1; SMN2CYP11B1CYP11B2ALDH1A1THRB
SCHEMBL7974270 0.81 ALDH1A1 (0.46) SMN1; SMN2CYP11B1CYP11B2ALDH1A1PARN
SCHEMBL7985002 0.81 ADORA2B (0.48) ALDH1A1CNOT7CYP3A4CYP2C9CYP2C19
SCHEMBL7985428 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1PARNCNOT7TSHR

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed