SCHEMBL11353166

SCHEMBL11353166

CCCOc1cc([N+](=O)[O-])ccc1Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.64
▸ MAPT P10636 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ GFER P55789 1/20 0.56
▸ CTSV O60911 1/20 0.53
▸ CTSL P07711 1/20 0.53
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47

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
SCHEMBL11348499 0.90 MAPT (0.58) CYP19A1MAPTMEN1KMT2AGFER
SCHEMBL11331546 0.82 MAPT (0.62) MAPTMEN1KMT2AGFERCTSV
SCHEMBL11345527 0.78 MAPT (0.64) MAPTMEN1KMT2AGFERCTSV
SCHEMBL3301465 0.78 CYP19A1 (1.00) CYP19A1MAPTMEN1KMT2ATSHR
SCHEMBL11348338 0.77 MAPT (0.59) MAPTMEN1KMT2AGFERCTSV
SCHEMBL4226708 0.77 CYP19A1 (0.63) CYP19A1MAPTMEN1KMT2ATSHR
SCHEMBL11349928 0.77 L3MBTL1 (0.56) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL11349611 0.77 GAA (0.51) MAPTMEN1KMT2AGFERTDP1
SCHEMBL11356333 0.76 TDP1 (0.45) CYP19A1MAPTMEN1KMT2ATSHR
SCHEMBL11222020 0.76 KMT2A (0.57) MAPTMEN1KMT2ATSHRTDP1

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-4304939-A Preparation of N-phenyl-N-alkylphenylenediamines UOP INC. (US) 1981-12-08 — — US disclosed
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