SCHEMBL3837358

SCHEMBL3837358

NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
IDH1 O75874 10/20 0.36
IDH2 P48735 7/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
P2RX7 Q99572 1/20 0.34
PNMT P11086 1/20 0.33
TGFBR1 P36897 1/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL3838179 0.77 NT5E (0.30)
SCHEMBL2526388 0.77 TRPV1 (0.45) NOTUMCYP3A4
SCHEMBL2533400 0.76 KDM4E (0.44) NOTUMCYP3A4
SCHEMBL2532480 0.75 DPP4 (0.43) P2RX7
SCHEMBL9952737 0.74 LOXL2 (0.38) NOTUMPDCD1LG2CD274P2RX7PNMT
SCHEMBL2527872 0.72 DPP4 (0.46)
SCHEMBL2533480 0.72 TRPV1 (0.43)
SCHEMBL14798298 0.71 TRPV1 (0.51)
SCHEMBL119701 0.71 CYP3A4 (0.64) NOTUMIDH1IDH2CYP3A4TSHR
SCHEMBL29447907 0.71 CYP3A4 (0.64) NOTUMIDH1IDH2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086972-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2009-08-12 EP disclosed
WO-2008064255-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed