SCHEMBL8965246

SCHEMBL8965246

COc1cc2c(cc1-c1nc3cc(Cl)ccc3o1)oc1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CASP3 P42574 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
RAB9A P51151 2/20 0.55
SENP8 Q96LD8 1/20 0.55
ELANE P08246 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
PTGS2 P35354 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AHR P35869 1/20 0.47
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL8965517 0.85 NPC1 (0.51) NPC1KDM4EALDH1A1CASP3SENP7
SCHEMBL8964811 0.83 KDM4E (0.56) NPC1KDM4EALDH1A1CASP3SENP7
SCHEMBL28139056 0.81 ELANE (0.69) NPC1KDM4EALDH1A1CASP3SENP7
SCHEMBL7735667 0.74 ALOX5 (0.73) NPC1KDM4EALDH1A1CASP3SENP7
SCHEMBL24552409 0.73 AHR (0.55) NPC1KDM4EALDH1A1CASP3SENP7
SCHEMBL31690261 0.72 AHR (0.66) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL8964805 0.72 KDM4E (0.52) NPC1KDM4EALDH1A1CASP3SENP7
SCHEMBL8965506 0.72 KDM4E (0.56) NPC1KDM4EALDH1A1CASP3SENP7
SCHEMBL12203168 0.71 KMT2A (0.58) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL5832494 0.71 NPC1 (0.67) NPC1KDM4EALDH1A1CASP3SENP7

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