SCHEMBL11229161

SCHEMBL11229161

O=C=Nc1cc(N=C=O)c2cc(N=C=O)cc(N=C=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
TRPA1 O75762 1/20 0.52
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.35

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
SCHEMBL542827 0.82 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL1829138 0.80 CYP3A4 (0.44) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL11760689 0.78 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL9422449 0.78 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL15317 0.78 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL3104115 0.78 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL131042 0.78 TDP1 (0.50) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL11878629 0.78 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL663362 0.78 CYP3A4 (0.54) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL29642622 0.78 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4328281-A REACTS WITH PROPELLANT COMPOSITION TO FORM BONDS AEROJET-GENERAL CORPORATION (US) 1982-05-04 US disclosed
US-4232608-A SOLID PROPELLANTS FOR ROCKET MOTORS, POLYURETHANES AEROJET-GENERAL CORPORATION (US) 1980-11-11 US disclosed
US-4210474-A CURED, ELASTOMERIC POLYBUTADIENE BINDER, REDUCING ALUMINUM OXIDE SLAG IN ROCKET MOTOR NASA 1980-07-01 US disclosed
US-4187215-A PROPELLANTS, POLYISOCYANATE HOMOPOLYMERS AEROJET-GENERAL CORPORATION (US) 1980-02-05 US disclosed
US-4158583-A GREATLY REDUCED HYDROGEN CHLORIDE EMISSION NASA 1979-06-19 US disclosed
US-4011871-A CATIONIC POLYURETHANE FILM PERSONAL PRODUCTS COMPANY (US) 1977-03-15 US disclosed
US-4002171-A Water-dispersible ionic polyurethane binder for nonwoven fabrics PERSONAL PRODUCTS COMPANY (US) 1977-01-11 US disclosed
US-3948829-A POLYMERIC COMPOSITION HITCO (US) 1976-04-06 US disclosed