SCHEMBL3640747

SCHEMBL3640747

[CH2]CC(c1ccccc1)(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 10/20 0.45
▸ UBE2T Q9NPD8 1/20 0.41
▸ ASIC3 Q9UHC3 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL16871130 0.75 CASR (0.46) CASRL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL16871360 0.74 CASR (0.48) CASRCYP1A2L3MBTL1CYP3A4CYP2C19
SCHEMBL5720317 0.71 CASR (0.51) CASRUBE2TASIC3CYP1A2CYP2D6
SCHEMBL3117203 0.71 CASR (0.42) CASRUBE2TASIC3CYP1A2CYP2D6
SCHEMBL439212 0.70 KIF11 (0.46) CYP1A2MAPK1CYP2C19ALDH1A1
SCHEMBL227210 0.70 CASR (0.58) CASRL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1666355 0.70 CASR (0.50) CASRUBE2TASIC3CYP1A2CYP2D6
SCHEMBL3907554 0.70 CASR (0.53) CASRUBE2TASIC3CYP1A2CYP2D6
SCHEMBL108180 0.70 CASR (0.58) CASRL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL16871004 0.69 CASR (0.43) CASRCYP1A2CYP2D6CYP3A4CYP2C19

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
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 — — EP claimed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 — — WO claimed
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