SCHEMBL11348338

SCHEMBL11348338

CCCc1cc([N+](=O)[O-])ccc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ GFER P55789 1/20 0.59
▸ CTSV O60911 1/20 0.57
▸ CTSL P07711 1/20 0.57
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ CXCR2 P25025 4/20 0.49
▸ CXCR1 P25024 2/20 0.49
▸ EGFR P00533 2/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL11345527 0.90 MAPT (0.64) MAPTKMT2AMEN1GFERCTSV
SCHEMBL10438554 0.80 CRHBP (0.64) MAPTKMT2AMEN1L3MBTL1HPGD
SCHEMBL11337250 0.78 MAPT (0.68) MAPTKMT2AMEN1GFERCTSV
SCHEMBL10438557 0.77 CA12 (0.56) MAPTKMT2AMEN1L3MBTL1HPGD
SCHEMBL11353166 0.77 CYP19A1 (0.64) MAPTKMT2AMEN1GFERCTSV
SCHEMBL9463730 0.77 MYC (0.63) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL11348499 0.77 MAPT (0.58) MAPTKMT2AMEN1GFERCTSV
SCHEMBL293916 0.76 MAPT (0.72) MAPTKMT2AMEN1GFERCTSV
SCHEMBL7121721 0.76 SMN1; SMN2 (0.55) MAPTKMT2ACYP1A2ALDH1A1GAA
SCHEMBL14220842 0.75 KDM4E (0.49) MAPTTDP1POLBCYP1A2CYP3A4

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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