SCHEMBL3209968

SCHEMBL3209968

N=C(c1ccccc1)c1ccccc1C1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
F10 P00742 2/20 0.39
F7 P08709 2/20 0.39
F2 P00734 1/20 0.39
F12 P00748 1/20 0.39
F3 P13726 1/20 0.39
PKM P14618 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.38
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
C1S P09871 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.35
F11 P03951 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
BCAT2 O15382 1/20 0.32

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
SCHEMBL3191412 0.82 CYP2D6 (0.35) CYP1A2F10F7F2F12
SCHEMBL3191219 0.75 EPHX1 (0.40) CYP1A2F10F7F2F12
SCHEMBL28794373 0.75 CYP1A2 (0.52) CYP1A2F10F7F2F12
SCHEMBL3206394 0.74 CYP1A2 (0.37) CYP1A2F10F7F2F12
SCHEMBL3199457 0.74 CYP3A4 (0.33) CYP1A2CYP2C9KMT2AHTR2AGPR3
SCHEMBL3201092 0.73 GPR3 (0.34) CYP2C9KMT2AHTR2AHBBHDAC3
SCHEMBL3205943 0.73 CYP1A2 (0.33) CYP1A2F10F7F2F12
SCHEMBL23709161 0.72 BCAT2 (0.50) CYP1A2F10F7F2F12
SCHEMBL31020137 0.72 BCAT2 (0.50) CYP1A2F10F7F2F12
SCHEMBL3190002 0.70 CYP1A2 (0.36) CYP1A2F10F7F2F12

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-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed