SCHEMBL7532018

SCHEMBL7532018

FC1=C(F)c2ccccc2OC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.42
MAOB P27338 6/20 0.40
MAOA P21397 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
CYP19A1 P11511 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36
MIF P14174 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL30715523 0.79 MAOB (0.41) PKMTSHRKMT2AMAOBMAOA
SCHEMBL19180095 0.72 PKM (0.48) PKMTSHRKMT2AMAOBMAOA
SCHEMBL29395306 0.70 MAOB (0.60) PKMTSHRKMT2AMAOBMAOA
SCHEMBL132696 0.70 MAOB (0.60) PKMTSHRKMT2AMAOBMAOA
SCHEMBL29799860 0.70 MAOB (0.60) PKMTSHRKMT2AMAOBMAOA
SCHEMBL8404567 0.70 TSHR (0.42) PKMTSHRKMT2AMAOBMAOA
Hydrochloric Acid SCHEMBL572068 0.68 MAOB (0.58) PKMTSHRKMT2AMAOBMAOA
SCHEMBL6051098 0.68 PKM (0.45) PKMTSHRKMT2AMAOBMAOA
SCHEMBL4560499 0.68 PKM (0.45) PKMTSHRKMT2AMAOBMAOA
3-Coumaranone SCHEMBL69412 0.68 PKM (0.56) PKMTSHRKMT2AMAOBMAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 WO disclosed