SCHEMBL9877608

SCHEMBL9877608

CC(N(NC(=O)c1ccc(NC(N)=O)cc1)C(=O)c1ccccc1Br)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37

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
SCHEMBL10780929 0.92 KMT2A (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9824746 0.86 POLB (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9557532 0.81 MEN1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9557538 0.78 MAPT (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10780937 0.77 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL9824961 0.74 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10718578 0.74 ABCB1 (0.45) SMN1; SMN2NPC1RAB9ALMNAHDAC1
SCHEMBL20460223 0.73 ABCB1 (0.51) ALDH1A1LMNAF2R
SCHEMBL10719018 0.73 POLB (0.47) ALDH1A1HPGDLMNA
SCHEMBL9877218 0.72 POLB (0.58) ALDH1A1LMNA

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-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 — — US disclosed
EP-0245950-A2 Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-11-19 — — EP disclosed
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