SCHEMBL301630

SCHEMBL301630

COc1ccc(C2(C(=O)N(C)C3CCN(CCNC(=O)Nc4cc(C)nc(C)c4)CC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MCHR1 Q99705 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2A P28223 2/20 0.39
CCR3 P51677 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3562203 0.92 MEN1 (0.44) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL301764 0.90 MEN1 (0.45) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL302944 0.90 CNR1 (0.46) LMNASMN1; SMN2POLBMCHR1MAPK1
SCHEMBL3555629 0.85 RXFP1 (0.42) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3559074 0.82 CNR1 (0.46) LMNASMN1; SMN2POLBMCHR1MAPK1
SCHEMBL3560776 0.81 UTS2R (0.46) MEN1KMT2APOLBHTR2ACCR3
SCHEMBL3562435 0.81 L3MBTL1 (0.53) LMNASMN1; SMN2POLBRXFP1HSD17B10
SCHEMBL3556044 0.79 POLB (0.48) LMNASMN1; SMN2POLBRXFP1HSD17B10
SCHEMBL3556125 0.79 POLB (0.45) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3563793 0.79 RXFP1 (0.48) LMNASMN1; SMN2POLBRXFP1HSD17B10

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
JP-4851328-B2 2012-01-11 JP claimed