SCHEMBL9824801

SCHEMBL9824801

CCCCN(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL9824994 0.86 LMNA (0.48) ALDH1A1HPGDLMNARAB9A
SCHEMBL9825135 0.83 RAB9A (0.46) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL9824771 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL10718314 0.78 POLB (0.57) —
SCHEMBL9826073 0.78 FLT1 (0.47) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL9825994 0.78 ABCB1 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL9825272 0.77 KCNK3 (0.52) HDAC1HDAC3HDAC2HDAC6HDAC8
Hydrochloric Acid SCHEMBL8166396 0.77 POLB (0.56) —
SCHEMBL9824960 0.77 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL9825740 0.76 TSHR (0.55) HDAC1HDAC3HDAC2HDAC6HDAC8

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 1 patent. 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
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