SCHEMBL9557258

SCHEMBL9557258

COc1ccccc1C(=O)N(C)N(C(=O)c1ccccc1OC)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.45
PDE2A O00408 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
STAT3 P40763 1/20 0.43
HTT P42858 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9557959 0.91 NPC1 (0.48) CTSDABCG2PDE2AMAPTNPSR1
SCHEMBL20812227 0.82 CTSD (0.49) CTSDABCG2PDE2AMAPTNPSR1
SCHEMBL9558221 0.81 CTSD (0.45) CTSDABCG2PDE2AMAPTNPSR1
SCHEMBL9557556 0.79 KMT2A (0.49) HTT
SCHEMBL2541558 0.78 CTSD (0.55) CTSDABCG2PDE2AMAPTNPC1
SCHEMBL9557317 0.78 POLB (0.54) HTT
SCHEMBL9557680 0.78 MEN1 (0.50) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL9557182 0.77 KDM4E (0.51) MAPT
SCHEMBL9557412 0.77 SMN1; SMN2 (0.42) NPC1RAB9AL3MBTL1HTTKCNK3
SCHEMBL9558035 0.76 NPC1 (0.48) CTSDMAPTNPC1RAB9AKCNK3

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-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 US disclosed
EP-0245950-A2 Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-11-19 EP disclosed