SCHEMBL8964787

SCHEMBL8964787

Oc1c(-c2nc3ccccc3o2)cc2oc3ccccc3c2c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
USP2 O75604 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM6B O15054 1/20 0.50
KDM6A O15550 1/20 0.50
PTGS2 P35354 2/20 0.47
TOP2A P11388 1/20 0.45
ESR1 P03372 5/20 0.44
ESR2 Q92731 5/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8964805 0.89 KDM4E (0.52) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL8964793 0.88 RPS6KA3 (0.54) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL8964809 0.88 KDM4E (0.49) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL8964567 0.87 HDAC6 (0.47) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL9292938 0.79 KDM6B (0.55) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL8964800 0.76 KDM6B (0.64) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL1296601 0.73 KDM6B (0.78) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL30096340 0.73 ALDH1A1 (0.65) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL29627559 0.73 ALDH1A1 (0.65) MAPTKDM4EALDH1A1HPGDUSP2
SCHEMBL30682 0.73 ALDH1A1 (0.65) MAPTKDM4EALDH1A1HPGDUSP2

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