SCHEMBL9198122

SCHEMBL9198122

Nc1ccc(C(O)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ TDP1 Q9NUW8 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ADRB2 P07550 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.46
▸ MAP2K1 Q02750 2/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CRHBP P24387 1/20 0.42

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
SCHEMBL10477443 0.86 TDP1 (0.49) LMNATDP1MEN1KMT2AMAPT
SCHEMBL9662354 0.83 TDP1 (0.51) LMNATDP1MEN1KMT2AMAPT
SCHEMBL9193057 0.81 TDP1 (0.44) LMNATDP1MEN1KMT2AMAPT
SCHEMBL31067515 0.81 SMN1; SMN2 (0.53) LMNATDP1MEN1KMT2AMAPT
SCHEMBL31067431 0.81 VCAM1 (0.54) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL9527174 0.81 SMN1; SMN2 (0.53) LMNATDP1MEN1KMT2AMAPT
SCHEMBL10359527 0.81 TDP1 (0.54) LMNATDP1MEN1KMT2AMAPT
SCHEMBL9523568 0.81 VCAM1 (0.54) LMNAMEN1KMT2AMAPTALDH1A1
Cadaverine Tartrate SCHEMBL9664962 0.80 LMNA (0.48) LMNATDP1MEN1KMT2AMAPT
SCHEMBL10800795 0.79 ADRB2 (0.49) LMNATDP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 — — EP disclosed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 — — EP disclosed
US-5037829-A Antitumor Activity; Androgen, Estrogen Inhibitors; Suppress The Plasma Elimination Of Retinoids JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-06 — — US disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 — — EP disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 — — US disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 — — EP disclosed
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