SCHEMBL7868490

SCHEMBL7868490

CCOc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SQOR Q9Y6N5 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL10826576 0.86 KDM4E (0.34) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL7866679 0.83
SCHEMBL8162404 0.81 MAPT (0.36) KDM4ELMNACYP1A2CYP2C9CYP2C19
SCHEMBL14314915 0.80 KDM4E (0.33) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL16291780 0.79 NQO1 (0.38) CYP1A2CYP2C19
SCHEMBL6604406 0.79 KDM4E (0.33) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2457473 0.78 KDM4E (0.39) KDM4ECYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL12232722 0.77 NQO1 (0.36) CYP1A2CYP2C19
SCHEMBL2455095 0.76 ALDH1A1 (0.33) KDM4E
SCHEMBL7870115 0.76 HSD17B10 (0.32)

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-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed