SCHEMBL9825708

SCHEMBL9825708

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ 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 0.43
▸ GLA P06280 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10719018 0.82 POLB (0.47) ALDH1A1KDM4EHPGDPOLB
SCHEMBL10722370 0.81 MEN1 (0.41) ALDH1A1GAAHTTKDM4EMAPT
SCHEMBL9877218 0.81 POLB (0.58) ALDH1A1TDP1POLB
SCHEMBL9714639 0.81 POLB (0.63) POLB
SCHEMBL9824746 0.81 POLB (0.46) ALDH1A1HPGDPOLBNPC1RAB9A
SCHEMBL10721229 0.78 ALDH1A1 (0.47) ALDH1A1GAAKDM4EHPGDPOLB
SCHEMBL9824979 0.78 CTSD (0.47) ALDH1A1GAAHTTKDM4EMAPT
SCHEMBL9825783 0.76 POLB (0.52) ALDH1A1TDP1POLB
SCHEMBL10718302 0.75 POLB (0.51) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL9825403 0.75 ALDH1A1 (0.42) ALDH1A1GAAKDM4EHPGDTDP1

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
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 — — US claimed
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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