SCHEMBL14731024

SCHEMBL14731024

Cc1ccc(-c2nc(-c3cccc(C)n3)nc3c2CCCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
TGFBR1 P36897 3/20 0.44
HRH2 P25021 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL14731127 0.99 THRB (0.44) THRBTGFBR1HRH2HRH3HTR2A
SCHEMBL14731015 0.97 THRB (0.44) THRBTGFBR1HRH2HRH3HTR2A
SCHEMBL14722704 0.91 LMNA (0.44) THRBTGFBR1HRH2HRH3HTR2A
SCHEMBL14731023 0.90 HTR2A (0.45) TGFBR1HRH2HRH3HTR2AHTR2C
SCHEMBL14731033 0.90 TGFBR1 (0.46) THRBTGFBR1HRH2HRH3HTR2A
SCHEMBL14731125 0.90 LMNA (0.43) THRBTGFBR1HRH2HRH3HTR2A
SCHEMBL14731137 0.89 HTR2A (0.44) TGFBR1HRH2HRH3HTR2AHTR2C
SCHEMBL14731036 0.89 TGFBR1 (0.46) THRBTGFBR1HRH2HRH3HTR2A
SCHEMBL14731126 0.88 LMNA (0.41) THRBTGFBR1HRH2HRH3HTR2A
SCHEMBL14731059 0.88 HRH3 (0.58) THRBTGFBR1HRH2HRH3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026900-A1 PYRIDINE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed