SCHEMBL9768400

SCHEMBL9768400

CC(C[N+](=O)[O-])(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL2944389 0.89 CYP2C19 (0.43) CYP2C19HIF1ATAAR1ALDH1A1LMNA
SCHEMBL10950133 0.83 TAAR1 (0.48) CYP2C19HIF1ATAAR1ALDH1A1LMNA
SCHEMBL26929273 0.80 CYP2C19 (0.44) CYP2C19HIF1ATAAR1ALDH1A1LMNA
SCHEMBL10937111 0.77 CYP2C19 (0.35) CYP2C19HIF1ATAAR1ALDH1A1LMNA
SCHEMBL10812212 0.75 ALDH1A1 (0.38) CYP2C19HIF1AALDH1A1LMNAKMT2A
SCHEMBL8331186 0.75 CYP19A1 (0.42) CYP2C19HIF1AALDH1A1LMNACPA1
SCHEMBL8977864 0.75 ALDH1A1 (0.38) CYP2C19HIF1AALDH1A1LMNACPA1
SCHEMBL9768399 0.73 PTPRC (0.39) TAAR1ALDH1A1LMNAMAPK1MAPT
SCHEMBL6809346 0.72 CHRM2 (0.42) CYP2C19HIF1AALDH1A1LMNACPA1
SCHEMBL1348079 0.72 CYP19A1 (0.37) CYP2C19HIF1AALDH1A1LMNACPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 US disclosed
US-4973659-A HEAR RESISTANT FILMS, FIBERS, COMPOSITES AMOCO CORPORATION (US) 1990-11-27 US disclosed
US-4973660-A Polyamide of diamino-t-butyltoluene AMOCO CORPORATION (US) 1990-11-27 US disclosed
US-4968780-A SOLUBLE IN N-METHYLPYRROLIDONE, HIGH GLASS TRANSITION TEMPERATURE, HEAT RESISTANT FILMS, FIBERS AND COMPOSITES AMOCO CORPORATION (US) 1990-11-06 US disclosed
US-4963648-A SOLVENT-SOLUBLILITY; HEAT RESISTANCE; FILMS, FIBERS, COMPOSITES; ELECTRICAL APPARATUS; AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-10-16 US disclosed