SCHEMBL8964811

SCHEMBL8964811

Oc1cc2c(cc1-c1nc3cc(Cl)ccc3o1)oc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
CASP3 P42574 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
SENP8 Q96LD8 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
AHR P35869 2/20 0.51
HPGD P15428 3/20 0.50
TP53 P04637 3/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM6B O15054 1/20 0.49
KDM6A O15550 1/20 0.49
THRB P10828 2/20 0.47
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8964800 0.86 KDM6B (0.64) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8965506 0.86 KDM4E (0.56) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL8965198 0.84 KDM6B (0.48) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL8965246 0.83 NPC1 (0.55) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL8964805 0.81 KDM4E (0.52) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL13522796 0.78 KDM6B (0.73) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL8964790 0.77 RPS6KA3 (0.53) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL24552409 0.77 AHR (0.55) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL2490922 0.75 MAPT (0.67) KDM4EALDH1A1NPC1RAB9ACASP3
SCHEMBL8965508 0.74 KDM6B (0.58) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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 2 patents. 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 claimed
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