SCHEMBL3975605

SCHEMBL3975605

Cc1ccc(N=C=O)cc1Cc1cc(N=C=O)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.61
TRPA1 O75762 1/20 0.61
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.40
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL10918627 0.90 CYP3A4 (0.65) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL29874510 0.90 CYP3A4 (0.65) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL29384050 0.90 CYP3A4 (0.65) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL9813322 0.90 CYP3A4 (0.61) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL24999152 0.89 CYP3A4 (0.61) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL9813344 0.87 CYP3A4 (0.57) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL29708073 0.87 CYP3A4 (0.51) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL483400 0.85 CYP3A4 (0.58) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL26469 0.85 CYP3A4 (0.56) CYP3A4TRPA1TSHRTDP1MAPK1
SCHEMBL5500495 0.81 CYP3A4 (0.53) CYP3A4TRPA1TSHRTDP1MAPK1

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-7538163-B2 Modification of thermoplastic polymers MEDTRONIC, INC. (US) 2009-05-26 US disclosed
EP-1877461-B1 MODIFICATION OF THERMOPLASTIC POLYMERS MEDTRONIC INC (US) 2009-05-06 EP disclosed
EP-1877461-A2 MODIFICATION OF THERMOPLASTIC POLYMERS Medtronic, Inc. (US) 2008-01-16 EP disclosed
US-20060223955-A1 Modification of thermoplastic polymers MEDTRONIC, INC. 2006-10-05 US disclosed
WO-2006102603-A2 MODIFICATION OF THERMOPLASTIC POLYMERS MEDTRONIC, INC. (US) 2006-09-28 WO disclosed