SCHEMBL27361847

SCHEMBL27361847

CCCCCCCn1c(C(N)=O)c(-c2ccccc2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
MAPT P10636 1/20 0.62
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 2/20 0.53
CNR2 P34972 3/20 0.49
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL21822408 0.83 KDM4E (0.60) KDM4EMAPTALDH1A1NPC1
SCHEMBL27507950 0.80 NPC1 (0.56) KDM4EMAPTALDH1A1NPC1CNR2
SCHEMBL23045524 0.80 KDM4E (0.46) KDM4EMAPTALDH1A1
SCHEMBL28763406 0.78 KDM4E (0.63) KDM4EMAPTALDH1A1CNR2CNR1
SCHEMBL25437053 0.78 NPC1 (0.56) KDM4EALDH1A1NPC1CNR2CNR1
SCHEMBL27361848 0.78 EDNRB (0.54) KDM4EMAPTALDH1A1MAPK1
SCHEMBL6017853 0.77 SMN1; SMN2 (0.53) KDM4EMAPTALDH1A1NPC1NPSR1
Biphenyl SCHEMBL28481359 0.76 KDM4E (0.63) KDM4EMAPTALDH1A1CNR2PSEN1
Benzene SCHEMBL28478449 0.74 CNR2 (0.62) KDM4EMAPTCNR2PSEN1PSEN2
SCHEMBL10762568 0.73 CCR2 (0.55) KDM4EPSEN1PSEN2APH1BNCSTN

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
CN-1067886-A New urea derivatives, their preparation method and pharmaceutical composition thereof FUJISAWA PHARMACEUTICAL CO (JP) 1993-01-13 CN disclosed