SCHEMBL19253865

SCHEMBL19253865

COc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4c(C#N)c(C=Cc5ccc(N(c6ccccc6)c6ccc(OC)cc6)cc5)cc(C#N)c4c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RELA Q04206 5/20 0.38
NFE2L2 Q16236 4/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL14569792 0.88 TRPA1 (0.48) TRPA1KDM4EALDH1A1LMNAGAA
SCHEMBL665399 0.88 TRPA1 (0.48) TRPA1KDM4ERELANFE2L2MAOB
SCHEMBL17883194 0.88 TRPA1 (0.48) TRPA1KDM4ERELANFE2L2MAOB
SCHEMBL12309967 0.87 TRPA1 (0.47) TRPA1KDM4ERELANFE2L2TUBB4A
SCHEMBL18327869 0.87 TRPA1 (0.51) TRPA1KDM4EALDH1A1LMNAGAA
SCHEMBL830304 0.87 TRPA1 (0.51) TRPA1KDM4EALDH1A1LMNAGAA
SCHEMBL10074383 0.86 TRPA1 (0.42) TRPA1KDM4EALDH1A1LMNAGAA
SCHEMBL14079456 0.84 TRPA1 (0.45) TRPA1KDM4ELMNAMAPTRELA
SCHEMBL14569791 0.83 RELA (0.44) TRPA1KDM4ELMNARELANFE2L2
SCHEMBL14437324 0.83 NFE2L2 (0.46) TRPA1KDM4EHPGDRELANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239919-A1 GLASS LAMINATE, METHOD FOR PRODUCING SAME AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2017-08-24 US disclosed