SCHEMBL8700378

SCHEMBL8700378

FC(c1cncnc1)c1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
F2RL3 Q96RI0 2/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
METAP2 P50579 1/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
HTR2C P28335 1/20 0.36
ADRA2A P08913 2/20 0.36
GRM4 Q14833 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8696579 0.84 MAOB (0.46) MAOBMAOAF2RL3PTPRCPTPN1
SCHEMBL8702189 0.76 ATM (0.36) RAB9ANPC1KDM4EALDH1A1CYP1A2
SCHEMBL8702207 0.75 PIK3R1 (0.36) MAOBRAB9ANPC1MAPTKDM4E
SCHEMBL8704175 0.75 CYP2A6 (0.34) F2RL3METAP2RAB9ANPC1MAPT
SCHEMBL19180722 0.72 MAOB (0.56) MAOBMAOAPTPRCPTPN1METAP2
SCHEMBL8700006 0.70 MAOB (0.48) MAOBMAOAF2RL3PTPRCPTPN1
SCHEMBL8696314 0.69 CYP19A1 (0.41) MAOBMAOAF2RL3PTPRCPTPN1
SCHEMBL12854020 0.69 MAOB (0.71) MAOBMAOAPTPRCPTPN1METAP2
SCHEMBL61411 0.69 MAOB (0.71) MAOBMAOAPTPRCPTPN1METAP2
SCHEMBL24621094 0.67 CYP19A1 (0.42) METAP2NPC1KDM4ECYP2D6HPGD

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
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
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 disclosed