SCHEMBL3907783

SCHEMBL3907783

CCNc1cccc(C)c1-c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
QPCT Q16769 2/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
CYP2C9 P11712 1/20 0.34
CTSA P10619 1/20 0.34
MAPK14 Q16539 2/20 0.34
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3915600 0.83 MEN1 (0.45) MEN1USP2CASP1BRCA1CASP7
SCHEMBL3904575 0.79 MEN1 (0.44) MEN1USP2CASP1BRCA1CASP7
SCHEMBL3916722 0.78 QPCT (0.53) MEN1USP2CASP1BRCA1CASP7
SCHEMBL3907788 0.73 TAAR1 (0.49) KMT2AS1PR2S1PR4MAPTSMN1; SMN2
SCHEMBL3085200 0.71 MAPT (0.46) MEN1KMT2AMAPTSMN1; SMN2CYP3A4
SCHEMBL880841 0.70 ALDH1A1 (0.51) MEN1KMT2AMAPTSMN1; SMN2CYP3A4
SCHEMBL1643707 0.70 CYP3A4 (0.60) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL3916693 0.70 S1PR2 (0.38) MEN1KMT2AS1PR2S1PR4MAPT
SCHEMBL5214473 0.69 SMN1; SMN2 (0.39) MAPTSMN1; SMN2CYP3A4TSHRRECQL
SCHEMBL5579052 0.69 CHRM3 (0.43) MEN1USP2CASP1BRCA1CASP7

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed