SCHEMBL11009701

SCHEMBL11009701

O=C(O)c1cc(Oc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.68
▸ MEN1 O00255 1/20 0.63
▸ TTR P02766 1/20 0.63
▸ PPOX P50336 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ MAPT P10636 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ POLB P06746 1/20 0.56
▸ LMNA P02545 1/20 0.50
▸ THRB P10828 1/20 0.49
▸ SCN9A Q15858 6/20 0.47
▸ LIPE Q05469 4/20 0.47
▸ BCHE P06276 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ AKR1C4 P17516 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45

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
SCHEMBL10846284 0.86 MAPT (0.68) RAB9AMAPTNPSR1POLBLMNA
SCHEMBL11008594 0.84 RAB9A (0.54) RAB9AMEN1TTRPPOXKMT2A
SCHEMBL11147168 0.84 MEN1 (0.72) RAB9AMEN1TTRPPOXKMT2A
SCHEMBL9768812 0.84 MEN1 (0.72) RAB9AMEN1TTRPPOXKMT2A
SCHEMBL11108780 0.84 RAB9A (0.53) RAB9AMEN1TTRPPOXKMT2A
SCHEMBL11015705 0.82 MAPT (0.64) RAB9AMAPTNPSR1POLBLMNA
Acifluorfen SCHEMBL7586484 0.82 MEN1 (0.68) RAB9AMEN1TTRPPOXKMT2A
SCHEMBL10773705 0.82 RAB9A (0.52) RAB9AMEN1TTRPPOXKMT2A
SCHEMBL10772934 0.82 RAB9A (0.52) RAB9AMEN1TTRPPOXKMT2A
SCHEMBL10452504 0.81 KMT2A (0.69) RAB9AMEN1TTRPPOXKMT2A

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
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 — — US disclosed
EP-0109575-A2 Benzoic-acid derivatives, process and means for its production F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-30 — — EP disclosed
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