SCHEMBL8696579

SCHEMBL8696579

OC(c1cncnc1)c1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
METAP2 P50579 1/20 0.39
ALOX5 P09917 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
PDE4D Q08499 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
HTR2C P28335 1/20 0.36
MKNK1 Q9BUB5 4/20 0.36
ADRA2A P08913 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
F2RL3 Q96RI0 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL8700378 0.84 MAOB (0.46) MAOBMAOAPTPRCPTPN1METAP2
SCHEMBL8696314 0.84 CYP19A1 (0.41) MAOBMAOAPTPRCPTPN1METAP2
SCHEMBL24621094 0.79 CYP19A1 (0.42) METAP2MEN1KMT2ATDP1NPC1
SCHEMBL8698099 0.76 KCNA5 (0.36) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL8697225 0.75 GAA (0.37) MAOBMEN1KMT2ATDP1NPC1
SCHEMBL8697482 0.74 CYP19A1 (0.33) MAOBMAOAMETAP2ALOX5TDP1
SCHEMBL11136545 0.72 ATM (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19180722 0.72 MAOB (0.56) MAOBMAOAPTPRCPTPN1METAP2
SCHEMBL8700006 0.70 MAOB (0.48) MAOBMAOAPTPRCPTPN1METAP2
SCHEMBL1769945 0.69 MAOA (0.43) MAOBMAOAMETAP2ALOX5MEN1

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
WO-1998018791-A1 HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-05-07 WO claimed