SCHEMBL6633161

SCHEMBL6633161

CCCCC(=O)NNc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.59
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
EPHX1 P07099 1/20 0.50
ALOX5 P09917 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
METAP2 P50579 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.48
CETP P11597 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
METAP1 P53582 1/20 0.46

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
SCHEMBL6634874 0.94 P2RX7 (0.68) P2RX7KDM4EMAPTEPHX1ALOX5
SCHEMBL8208778 0.94 P2RX7 (0.68) P2RX7KDM4EMAPTEPHX1ALOX5
SCHEMBL23048462 0.85 CYP1A2 (0.67) KDM4EMAPTEPHX1GAACYP1A2
SCHEMBL31091435 0.81 EP300 (0.66) KDM4EMAPTEPHX1GLAGAA
SCHEMBL5923508 0.80 P2RX7 (0.88) P2RX7KDM4EMAPTALOX5GAA
SCHEMBL28931497 0.79 ALDH1A1 (0.66) KDM4EEPHX1GAACYP1A2CYP2C19
SCHEMBL27812836 0.79 P2RX7 (0.62) P2RX7ALOX5GAAPOLBCETP
SCHEMBL6636560 0.78 METAP2 (0.54) P2RX7KDM4EMAPTEPHX1GAA
SCHEMBL12456328 0.76 CYP2C19 (0.72) KDM4EMAPTEPHX1GAARAB9A
SCHEMBL12608238 0.76 CYP2C19 (0.72) KDM4EMAPTEPHX1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6380288-B1 LOW HEAT GENERATION PROPERTY, AGING REISTANCE, ALSO FOR PRODUCING VIBRATION ISOLATORS, BELTS AND HOSES AS WELL AS TIRE MATERIALS SUCH AS TIRE TREADS, UNDERTREADS, CARCASSES, SIDE WALLS AND BEADS BRIDGESTONE CORPORATION 2002-04-30 US disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP disclosed