SCHEMBL7627296

SCHEMBL7627296

Cc1cccc(Cl)c1CNc1ccc(-n2nc(-c3cccnc3)nc2C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PLA2G1B P04054 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
THRB P10828 2/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
OPRL1 P41146 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA5 P30532 2/20 0.35
CHRNA4 P43681 2/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
P2RX7 Q99572 1/20 0.35
KMT2A Q03164 3/20 0.34

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
SCHEMBL7634848 0.94 MAPT (0.38) MAPTALDH1A1KDM4ETHRBHDAC1
SCHEMBL7638011 0.90 MAPT (0.45) MAPTALDH1A1KDM4EPLA2G1BGAA
SCHEMBL7243590 0.83 PTGS2 (0.39) MAPTALDH1A1KDM4EPLA2G1BGAA
SCHEMBL7243090 0.83 EPHX2 (0.42) MAPTALDH1A1KDM4EPLA2G1BGAA
SCHEMBL8002230 0.81 GAA (0.35) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL7634838 0.76 MAPT (0.46) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL7243350 0.76 ALDH1A1 (0.46) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL7244506 0.76 PTGS2 (0.42) ALDH1A1KDM4EHDAC1HDAC6ABL1
SCHEMBL7630672 0.75 HDAC1 (0.42) MAPTTHRBHDAC1HDAC6
SCHEMBL7635227 0.74 CHRNB2 (0.39) CHRNB2CHRNA5CHRNA4KMT2AMAPK1

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-6451820-B1 Substituted 1-(4-aminophenly)triazoles and their use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-17 US claimed
WO-2001072740-A1 SUBSTITUTED 1-(4-AMINOPHENYL) TRIAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-10-04 WO claimed