SCHEMBL9714656

SCHEMBL9714656

COc1ccc(C(=O)NN(C(=O)c2ccc(OC)cc2)C(C)(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
POLB P06746 1/20 0.67
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ABCB1 P08183 2/20 0.59
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 1/20 0.57
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
PLK1 P53350 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL9714140 0.94 POLB (0.78) HTTPOLBHPGDSMN1; SMN2ABCB1
SCHEMBL9714138 0.94 POLB (0.78) HTTPOLBHPGDSMN1; SMN2ABCB1
SCHEMBL10719281 0.89 ABCB1 (0.76) HTTPOLBABCB1CYP3A4CYP2C9
SCHEMBL5064138 0.88 ABCB1 (0.57) HTTPOLBHPGDSMN1; SMN2ABCB1
SCHEMBL9496366 0.87 HTT (0.56) HTTPOLBHPGDSMN1; SMN2ABCB1
SCHEMBL10719128 0.86 ABCB1 (0.71) HTTPOLBSMN1; SMN2ABCB1CYP3A4
SCHEMBL10721630 0.83 HTT (0.61) HTTABCB1
SCHEMBL9824845 0.82 POLB (0.78) HTTPOLBHPGDSMN1; SMN2ABCB1
SCHEMBL9824849 0.82 POLB (0.78) HTTPOLBHPGDSMN1; SMN2ABCB1
SCHEMBL9714422 0.82 POLB (0.73) POLBHPGDSMN1; SMN2ABCB1CYP3A4

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-0245950-B1 INSECTICIDAL N-SUBSTITUTED-N' - SUBSTITUTED-N, N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 EP disclosed