SCHEMBL10489729

SCHEMBL10489729

Cc1noc2ccc(Oc3ncc(C(F)(F)F)cc3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GPBAR1 Q8TDU6 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
SCHEMBL11014583 0.75 SCN9A (0.48) RAB9ASCN9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10489680 0.74 FFAR1 (0.44) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL13202676 0.73 EPHX2 (0.58) CYP1A2GRM4
SCHEMBL9587283 0.72 RAB9A (0.52) RAB9ASCN9AALDH1A1SMN1; SMN2MEN1
SCHEMBL24750163 0.71 CYP1A2 (0.49) RAB9ASCN9AALDH1A1SMN1; SMN2MEN1
SCHEMBL10846099 0.69 RAB9A (0.74) RAB9ASCN9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9752071 0.69 POLB (0.52) RAB9ASCN9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10489703 0.69 BRD4 (0.42) HTTGPBAR1
SCHEMBL6990506 0.68 BRD4 (0.49) RAB9AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL10845453 0.68 RAB9A (0.46) RAB9ASCN9AALDH1A1SMN1; SMN2MEN1

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-4888041-A POST EMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-19 — — US disclosed
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