SCHEMBL9751003

SCHEMBL9751003

Nc1ccc(-c2ccc(N)c(N)c2Cl)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 7/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
ALOX15 P16050 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AHR P35869 3/20 0.41
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 2/20 0.38
THRB P10828 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL416690 0.75 TDP1 (0.52) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL15156529 0.73 CYP11B2 (0.47) CYP11B1CYP11B2
SCHEMBL15156955 0.73 MMP3 (0.38) ALDH1A1CYP11B1CYP11B2
SCHEMBL20916271 0.72 TDP1 (0.54) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL29689854 0.72 TDP1 (0.48) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL29349835 0.71 TDP1 (1.00) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL23855 0.71 TDP1 (1.00) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8547022 0.71 BACE1 (0.53) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL28882427 0.71 TDP1 (0.46) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL30321470 0.71 MEN1 (0.46) TDP1MEN1KMT2ACYP3A4ALDH1A1

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-5041506-A Method for the production of a molecular composite of rigid aromatic polymer HONDA GIKEN KOGYO KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0298753-A2 Method for the production of a molecular composite HONDA GIKEN KOGYO KABUSHIKI KAISHA (JP) 1989-01-11 EP disclosed