SCHEMBL3194044

SCHEMBL3194044

N#Cc1c(F)c(F)c(Oc2ccccc2)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
LTA4H P09960 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 4/20 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
SCHEMBL7106499 0.94 CA12 (0.49) CA12CA1CA2CA7CA13
SCHEMBL10826536 0.93 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL23417739 0.89 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL7103435 0.86 KMT2A (0.44) CA12CA1CA2CA7CA13
SCHEMBL29582037 0.85 MEN1 (0.39) CA12CA1CA2CA7CA13
SCHEMBL7870170 0.84 MEN1 (0.41) CA12CA1CA2CA7CA13
SCHEMBL29581730 0.82 POLB (0.37) CA12CA1CA2CA7CA13
SCHEMBL7868322 0.81 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL27092113 0.81 CA12 (0.62) CA12CA1CA2CA7CA13
SCHEMBL8623519 0.79 LTA4H (0.48) CA12CA1CA2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678881-B2 Transparent resin material NIPPON SHOKUBAI CO., LTD. (JP) 2010-03-16 US disclosed
US-7678881-B2 Transparent resin material NIPPON SHOKUBAI CO., LTD. (JP) 2010-03-16 US disclosed
US-20050282996-A1 polycarbonates; polyphenylene ethers; fluoropolymers; optical fiber, optical waveguide, optical recording disk, optical film; waterproofing; heat resistance NIPPON SHOKUBAI CO., LTD. (JP) 2005-12-22 US disclosed
EP-1600797-A1 Transparent resin material Nippon Shokubai Co., Ltd. (JP) 2005-11-30 EP disclosed
EP-1149853-B1 Polycyanoaryl ether and method for production thereof NIPPON CATALYTIC CHEM IND (JP) 2004-08-11 EP disclosed
US-6506872-B2 Polymerizing a tetrafluorobenzonitrile with an aromatic diol; engineering thermoplatics; improve solubility NIPPON SHOKUBAI CO., LTD. (JP) 2003-01-14 US disclosed
US-20020007039-A1 Polycyanoaryl ether and method for production thereof NIPPON SHOKUBAI CO., LTD. (JP) 2002-01-17 US disclosed
EP-1149853-A1 Polycyanoaryl ether and method for production thereof Nippon Shokubai Co., Ltd. (JP) 2001-10-31 EP disclosed