SCHEMBL4902410

SCHEMBL4902410

COCCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c3ccccc3n(C)c2c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.77
KDM4E B2RXH2 9/20 0.77
ALDH1A1 P00352 9/20 0.77
HPGD P15428 8/20 0.77
GLA P06280 6/20 0.77
GAA P10253 6/20 0.77
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
TSHR P16473 2/20 0.73
MAPT P10636 4/20 0.67
TP53 P04637 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
PKM P14618 1/20 0.67
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
POLB P06746 1/20 0.59
ATM Q13315 1/20 0.56

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
SCHEMBL4753357 0.87 MAPT (0.81) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL4752756 0.79 MAPT (0.84) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL4753163 0.69 HSD17B10 (0.74) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL29748988 0.67 USP2 (0.76) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL4954775 0.67 HPGD (0.53) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL20159109 0.66 MTOR (0.50) TP53HTTMAPK1
SCHEMBL17156578 0.64 KDM4E (0.47) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL2038550 0.63 NPSR1 (0.54) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL23244275 0.63 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2
SCHEMBL2036243 0.63 HTT (0.50) HSD17B10KDM4EALDH1A1HPGDGLA

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-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed