SCHEMBL9824979

SCHEMBL9824979

CC(C)(C)CN(NC(=O)c1ccccc1)C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9714639 0.81 POLB (0.63) POLB
SCHEMBL8179624 0.80 POLB (0.59) ALDH1A1TDP1POLBSMN1; SMN2
SCHEMBL9826375 0.80 POLB (0.47) HPGDTDP1POLBNPC1RAB9A
SCHEMBL10720007 0.80 ABCB1 (0.53) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL9825480 0.78 RAB9A (0.53) CTSDALDH1A1KDM4EMAPTHPGD
SCHEMBL9825135 0.78 RAB9A (0.46) CTSDALDH1A1GAAHTTKDM4E
SCHEMBL9825708 0.78 ALDH1A1 (0.46) CTSDALDH1A1GAAHTTKDM4E
SCHEMBL9714635 0.74 POLB (0.63) CTSDALDH1A1POLB
SCHEMBL9714483 0.74 ABCB1 (0.54) ALDH1A1GAAKDM4EHPGDPOLB
SCHEMBL5058440 0.74 HPGD (0.64) HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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