SCHEMBL6202338

SCHEMBL6202338

COC([O])c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.40
HPGD P15428 1/20 0.39
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6206390 0.78 AOC3 (0.44) ALDH1A1HPGDLMNAMAPTKDM4E
SCHEMBL6205148 0.78 ADRB2 (0.44) CYP2A6HPGDLMNAMAPTMAPK1
SCHEMBL6205817 0.78 CA1 (0.52) CYP1A2ALDH1A1CYP2A6MEN1MAPK1
SCHEMBL83160 0.77 KMT2A (0.46) ALDH1A1HPGDKMT2A
SCHEMBL6502 0.77 CYP2A6 (0.42) CYP1A2ALDH1A1CYP2A6HPGDALOX5
SCHEMBL16177721 0.75 CYP2A6 (0.40) CYP1A2ALDH1A1CYP2A6HPGDALOX5
SCHEMBL3322412 0.75 CYP2A6 (0.40) CYP1A2ALDH1A1CYP2A6HPGDALOX5
SCHEMBL31353465 0.75 CYP2A6 (0.40) CYP1A2ALDH1A1CYP2A6HPGDALOX5
SCHEMBL6202340 0.73 CYP1A2 (0.42) CYP1A2ALDH1A1CYP2A6HPGDALOX5
SCHEMBL10997001 0.73 CYP2A6 (0.38) CYP1A2ALDH1A1CYP2A6HPGDALOX5

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
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed