SCHEMBL8998770

SCHEMBL8998770

COc1cccc(C(=O)NN(C(=O)c2ccc(F)cc2)C(C)(C)C)c1C

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.76
RECQL P46063 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8998931 0.92 ABCB1 (0.81) ABCB1POLBRAB9A
SCHEMBL8383648 0.91 ABCB1 (0.80) ABCB1RAB9ASMN1; SMN2
SCHEMBL8383736 0.91 ABCB1 (0.79) ABCB1POLB
SCHEMBL8387053 0.90 ABCB1 (0.74) ABCB1RAB9ASMN1; SMN2
SCHEMBL8998803 0.90 ABCB1 (0.74) ABCB1
SCHEMBL8998729 0.89 ABCB1 (0.73) ABCB1
Methoxyfenozide SCHEMBL27940349 0.88 ABCB1 (0.86) ABCB1
SCHEMBL8998781 0.88 ABCB1 (0.72) ABCB1
SCHEMBL8998718 0.88 ABCB1 (0.72) ABCB1
SCHEMBL8998835 0.86 ABCB1 (0.76) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530028-A CONTROLS INSECTS OF THE ORDER LEPIDOPTERA ROHM AND HAAS COMPANY (US) 1996-06-25 US claimed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 EP claimed
EP-0729953-A2 A process for producing a 2-substituted-3,4-fused heterocyclic benzoic acid ROHM AND HAAS COMPANY (US) 1996-09-04 EP disclosed
EP-0729934-A2 A process for producing a 3-alkoxy-2-(substituted)benzoic acid or an ester thereof ROHM AND HAAS COMPANY (US) 1996-09-04 EP disclosed
US-5530028-A CONTROLS INSECTS OF THE ORDER LEPIDOPTERA ROHM AND HAAS COMPANY (US) 1996-06-25 US disclosed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 EP disclosed