SCHEMBL9455149

SCHEMBL9455149

Cc1cc(=O)n(-c2ccccc2N)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
MAPT P10636 7/20 0.66
KDM4E B2RXH2 7/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
KMT2A Q03164 7/20 0.48
GAA P10253 5/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 3/20 0.47
ALKBH3 Q96Q83 1/20 0.47
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALPL P05186 3/20 0.41
ENPP3 O14638 2/20 0.40
XIAP P98170 2/20 0.40
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL5527948 0.82 MAPT (0.70) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL4029048 0.79 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL9765242 0.79 MAPT (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL17260080 0.79 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL31469255 0.79 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL5528033 0.77 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL1564411 0.77 MAPT (0.62) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL9558930 0.76 ALKBH5 (0.51)
SCHEMBL11435207 0.76 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL1819741 0.76 MAPT (0.60) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A

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-5274083-A A 2-halopyrimidinylaminoalkylamino-4-chloro-6-sulfonyl-substituted chromophore group-s-triazine BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed