SCHEMBL1440112

SCHEMBL1440112

Cc1c(Cl)ccc2c1n[c]n2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ RAD51 Q06609 1/20 0.33
▸ PDE2A O00408 5/20 0.32
▸ BRAF P15056 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ TEAD1 P28347 1/20 0.30
▸ TEAD4 Q15561 1/20 0.30
▸ TEAD2 Q15562 1/20 0.30
▸ TEAD3 Q99594 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PKM P14618 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
SCHEMBL18894087 0.62 RORC (0.30) —
SCHEMBL7812114 0.60 PDE2A (0.38) PDE2A
SCHEMBL18894119 0.60 HSD11B1 (0.30) —
SCHEMBL5540266 0.59 PTGS2 (0.35) TDP1
SCHEMBL28700769 0.59 TDP1 (0.40) BRAFNOTUMTDP1
SCHEMBL3651143 0.58 PKM (0.50) PDE2APKM
SCHEMBL171040 0.57 PDE2A (0.50) PDE2AMCL1
SCHEMBL19120598 0.57 NPBWR1 (0.49) NPBWR1MCHR1BRAF
SCHEMBL3280154 0.57 POLB (0.37) PKM
SCHEMBL6151773 0.56 NOTUM (0.44) BRAFNOTUMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
Send feedback