SCHEMBL8964583

SCHEMBL8964583

CCn1c2ccccc2c2cc(O)c(-c3nc4ccc(C)cc4[nH]3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.51
GAA P10253 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 1/20 0.48
F2 P00734 2/20 0.45
F10 P00742 2/20 0.45
PLG P00747 2/20 0.45
PLAU P00749 2/20 0.45
PRSS1 P07477 2/20 0.45
PLAT P00750 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
CBFB Q13951 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8964550 0.77 RPS6KA3 (0.46) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL8964796 0.73 NPC1 (0.52) GAAKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL29078861 0.72 NPY5R (0.70) NPY5RGAAKDM4EALDH1A1NPC1
SCHEMBL30582471 0.72 NPY5R (0.70) NPY5RGAAKDM4EALDH1A1NPC1
SCHEMBL29078828 0.72 NPY5R (0.66) NPY5RKDM4EALDH1A1MAPTMETAP2
SCHEMBL30582414 0.72 NPY5R (0.66) NPY5RKDM4EALDH1A1MAPTMETAP2
SCHEMBL4782915 0.71 NPY5R (0.77) NPY5RGAAKDM4EALDH1A1NPC1
SCHEMBL30582472 0.71 NPY5R (0.69) NPY5RKDM4EALDH1A1HTTMAPT
SCHEMBL29078838 0.71 NPY5R (0.69) NPY5RKDM4EALDH1A1HTTMAPT
SCHEMBL30582422 0.71 NPY5R (0.72) NPY5RGAAKDM4EALDH1A1NPC1

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
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed