SCHEMBL8908011

SCHEMBL8908011

Nc1ccc(N(c2ccc(N)cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.75
KMT2A Q03164 4/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
MEN1 O00255 3/20 0.68
CRHBP P24387 1/20 0.68
ATM Q13315 1/20 0.68
CRHR2 Q13324 1/20 0.68
TLR9 Q9NR96 1/20 0.68
MAPT P10636 4/20 0.60
ESR1 P03372 2/20 0.51
CYP19A1 P11511 2/20 0.51
ESR2 Q92731 2/20 0.51
TDP1 Q9NUW8 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL19190713 1.00 ALDH1A1 (0.75) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL10337031 0.91 ALDH1A1 (0.62) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL8847808 0.89 ALDH1A1 (0.60) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL8847802 0.89 ALDH1A1 (0.60) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL8986915 0.89 ALDH1A1 (0.83) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL310828 0.89 ALDH1A1 (0.83) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL27521130 0.88 ALDH1A1 (0.58) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL9065915 0.87 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TLR9MAPT
4-Nitroaniline SCHEMBL13529022 0.87 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TLR9MAPT
4-Nitroaniline SCHEMBL16451 0.87 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1TLR9MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633112-A Photosensitive resin composition containing a carboxylic acid polymer, photoacid generator and secondary or tertiary aliphatic amine HITACHI, LTD. (JP) 1997-05-27 US disclosed