SCHEMBL10798786

SCHEMBL10798786

O=C=NN(N=C=O)c1ccccc1Cc1ccccc1N(N=C=O)N=C=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HSPA5 P11021 1/20 0.32
PTPN1 P18031 1/20 0.31
AR P10275 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL272718 0.73 TRPM8 (0.38)
SCHEMBL28359766 0.71 SIGMAR1 (0.43) SLC6A4
SCHEMBL3871304 0.64 AR (0.50) HSPA5AR
SCHEMBL29408555 0.64 AR (0.50) HSPA5AR
SCHEMBL3680658 0.64 HSPA5 (0.40) HSPA5PTPN1AR
SCHEMBL2213135 0.64 HSPA5 (0.40) GABRA1GABRB2HSPA5PTPN1AR
SCHEMBL18701450 0.64 CYP3A4 (0.50) GABRA1GABRB2HSPA5
SCHEMBL8763269 0.64 GABRA1 (0.38) GABRA1GABRB2HSPA5
SCHEMBL15544 0.64 CYP3A4 (0.50) GABRA1GABRB2HSPA5
SCHEMBL29404189 0.64 CYP3A4 (0.50) GABRA1GABRB2HSPA5

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
EP-2720676-B1 LIQUID CLEANING AND/OR CLEANSING COMPOSITION PROCTER & GAMBLE (US) 2018-01-17 EP claimed
EP-0096882-B1 POLYMERS WITH HYDROPHOBE BUNCHES UNION CARBIDE CORPORATION (US) 1987-05-20 EP claimed
US-4352704-A CURING ELASTOMER PARTICLES AND A BINDER DUNLOP LIMITED (GB) 1982-10-05 US disclosed
US-4290470-A Porous tire tread and method of bonding discrete particles to form same DUNLOP LIMITED (GB) 1981-09-22 US disclosed