SCHEMBL7634838

SCHEMBL7634838

CCc1nc(-c2cccnc2)nn1-c1ccc(NCc2c(F)cccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
MPI P34949 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.42
HDAC1 Q13547 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
LCK P06239 2/20 0.38
BTK Q06187 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 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
SCHEMBL7630672 0.90 HDAC1 (0.42) MAPTHDAC1HDAC6SMN1; SMN2
SCHEMBL7638011 0.85 MAPT (0.45) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL7241965 0.82 EPHX2 (0.56) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL7239552 0.82 ALDH1A1 (0.46) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL7629056 0.78 HDAC1 (0.46) MAPTMAPK1HDAC1HDAC6TSHR
SCHEMBL7235296 0.78 ALDH1A1 (0.45) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL7627296 0.76 MAPT (0.36) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL7242287 0.76 MAPT (0.45) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL7632588 0.73 HDAC1 (0.39) MAPTKMT2AKDM4EMAPK1L3MBTL1
SCHEMBL7234972 0.72 L3MBTL1 (0.45) MAPTALDH1A1KMT2AKDM4EMEN1

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