SCHEMBL6676775

SCHEMBL6676775

O=C=Nc1ccccc1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1N=C=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
MGLL Q99685 1/20 0.30
HNF4A P41235 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
SCHEMBL29687996 0.81 CYP3A4 (0.48) CYP3A4HDAC4HDAC2HDAC8HDAC6
SCHEMBL185120 0.81 CYP3A4 (0.48) CYP3A4HDAC4HDAC2HDAC8HDAC6
Methane SCHEMBL27501832 0.79 CYP3A4 (0.47) CYP3A4HDAC4HDAC2HDAC8HDAC6
SCHEMBL113386 0.78 CYP3A4 (0.47) CYP3A4HDAC4HDAC2HDAC8HDAC6
SCHEMBL9183951 0.78 CYP3A4 (0.50) CYP3A4GABRA1GABRB2
SCHEMBL10734575 0.78 CYP3A4 (0.35) CYP3A4HDAC4HDAC2HDAC8HDAC6
SCHEMBL112824 0.77 CYP3A4 (0.56) CYP3A4GABRA1GABRB2LMNAMAPT
Methane SCHEMBL27978530 0.77 CYP3A4 (0.46) CYP3A4HDAC4HDAC2HDAC8HDAC6
SCHEMBL28909456 0.76 GABRA1 (0.37) CYP3A4HDAC4HDAC2HDAC8HDAC6
Biphenyl SCHEMBL2817445 0.76 CYP3A4 (0.44) CYP3A4HDAC4HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905163-B1 Acrylic elastomer composition NIPPON MEKTRON KK (JP) 2004-10-27 EP disclosed
US-20040087729-A1 Acrylic elastomer and its composition MORIYAMA IWAO (JP) 2004-05-06 US disclosed
US-20010005742-A1 Acrylic elastomer and its composition NIPPON MEKTRON, LIMITED 2001-06-28 US disclosed
EP-1110980-A1 Acrylic elastomer and its composition Nippon Mektron, Limited (JP) 2001-06-27 EP disclosed
US-6015860-A POLYFUNCTIONAL (BLOCKED) ISOCYANATE, GUANIDINE, QUATERNARY AMMONIUM SALT, TERTIARY AMINE, AND TERTIARY PHOSPHINE VULCANIZATION ACCELERATOR; HEAT AND SCORCH RESISTANCE; RESILIENCE NIPPON MEKTRON, LIMITED (JP) 2000-01-18 US disclosed
EP-0905163-A1 Acrylic elastomer composition Nippon Mektron, Limited (JP) 1999-03-31 EP disclosed