SCHEMBL6928918

SCHEMBL6928918

CC(C)OC(=O)C=C(C#N)c1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
LMNA P02545 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAOA P21397 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21457597 0.87 CA1 (0.51) HPGDCA12CA1CA2CA7
SCHEMBL21457578 0.87 ALDH1A1 (0.39) HPGDCA12CA1CA2CA7
SCHEMBL21457287 0.87 KMT2A (0.44) HPGDCA12CA1CA2CA7
SCHEMBL21457761 0.85 SMN1; SMN2 (0.42) HPGDCA12CA1CA2CA7
SCHEMBL21457545 0.85 GSK3B (0.45) HPGDCA12CA1CA2CA7
SCHEMBL21457529 0.85 MEN1 (0.41) HPGDCA12CA1CA2CA7
SCHEMBL21457143 0.85 MAPT (0.40) HPGDCA12CA1CA2CA7
SCHEMBL21457176 0.85 SMN1; SMN2 (0.44) HPGDLMNACYP1A2NPC1RAB9A
SCHEMBL31467327 0.85 SMN1; SMN2 (0.44) HPGDLMNACYP1A2NPC1RAB9A
SCHEMBL21457601 0.84 NQO2 (0.50) HPGDCA1CA2CYP1A2NPC1

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
US-6517742-B1 2-(butyl 4'-ylaminobenzoate)-4,6-bis((1,3,3,3-tetramethyl-1 -((trimethylsilyl)oxy)disiloxanyl)propyl-3-ylamino)-s-triazine; s-triazine derivatives substituted by at least one silicone group; from cyanuric chloride L'OREAL (FR) 2003-02-11 US disclosed
US-5928630-A PROTECT AGAINST SOLAR RADIATION; ABSORB BOTH ULTRAVIOLET A AND B RADIATION Societe L' Oreal S.A. (FR) 1999-07-27 US disclosed
US-5849909-A Benzalmalonatae/phenylcyanoacrylate-substituted S-triazine compounds SOCIETE L'OREAL S.A. (FR) 1998-12-15 US disclosed