SCHEMBL9745943

SCHEMBL9745943

N#Cc1c[c]ccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.44
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
APP P05067 1/20 0.39
IKBKB O14920 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDR P35968 1/20 0.37
CES1 P23141 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 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
SCHEMBL7433163 0.79 ESR2 (0.56) VCAM1ALDH1A1LMNAIKBKBKDR
SCHEMBL8140554 0.79 VCAM1 (0.60) VCAM1ALDH1A1LMNAAPPIKBKB
SCHEMBL11020287 0.78 HSD17B10 (0.42) VCAM1ALDH1A1LMNAAPPMEN1
SCHEMBL7679539 0.78 ALDH1A1 (0.46) ALDH1A1LMNAAPPMEN1KMT2A
SCHEMBL27208732 0.78 CA12 (0.42) ALDH1A1LMNAAPPMEN1KMT2A
SCHEMBL6799885 0.77 ESR2 (0.38)
SCHEMBL11409143 0.76 POLB (0.49) ALDH1A1LMNAMEN1KMT2ACES1
SCHEMBL3788758 0.75 APP (0.39) ALDH1A1LMNAAPPMEN1KMT2A
SCHEMBL731049 0.74 ESR2 (0.44) ALDH1A1CYP1A2CYP2C19HPGDTDP1
SCHEMBL11287223 0.74 AR (0.39) ALDH1A1LMNAAPPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5159040-A Neutral and electrically conductive poly(heterocyclic vinylenes) and processes for preparing same ALLIED-SIGNAL INC. (US) 1992-10-27 US disclosed
US-5068060-A Neutral and electrically conductive poly(heterocyclic vinylenes) and processes for preparing same ALLIED-SIGNAL INC. (US) 1991-11-26 US disclosed
WO-1991015534-A1 ELECTRICALLY CONDUCTIVE POLY(AROMATIC VINYLENES) AND POLY(HETEROAROMATIC VINYLENES) ALLIED-SIGNAL INC. (US) 1991-10-17 WO disclosed
US-4900782-A Stabilized polyelectrolyte precursors of poly(aromatic and heteroaromatic vinylenes) ALLIED-SIGNAL INC. (US) 1990-02-13 US disclosed