SCHEMBL10851732

SCHEMBL10851732

NC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccc(F)cc2)O1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ MAOB P27338 3/20 0.39
▸ XDH P47989 1/20 0.38
▸ PGR P06401 2/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ ADK P55263 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ KCNN4 O15554 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAOA P21397 2/20 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
SCHEMBL10710536 0.90 KDM4E (0.47) KDM1ABRD4MAOBXDHPGR
SCHEMBL10827325 0.87 NPC1 (0.45) KDM1ABRD4MAOBXDHNOTUM
SCHEMBL10827041 0.83 XDH (0.39) KDM1ABRD4MAOBXDHPGR
SCHEMBL10366766 0.83 BRD4 (0.38) KDM1ABRD4MAOBXDHPGR
SCHEMBL10827121 0.82 NPY5R (0.42) BRD4XDHNOTUMNPY5RTSHR
SCHEMBL10368197 0.82 BRD4 (0.37) KDM1ABRD4MAOBXDHPGR
SCHEMBL10712878 0.82 KCNN4 (0.37) KDM1ABRD4PGRNOTUMPARP1
SCHEMBL10852334 0.82 BRD4 (0.38) BRD4MAOBXDHPGRNOTUM
SCHEMBL10827231 0.81 GRIN1 (0.39) KDM1ABRD4XDHADKNOTUM
SCHEMBL10850242 0.81 KDM1A (0.39) KDM1AMAOBMAOA

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-4568376-A BOTH PRE- AND POST-EMERGENCE PHYTOTOXICITY; PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1986-02-04 — — US disclosed
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