SCHEMBL9825783

SCHEMBL9825783

CC(C)C(C(C)C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1.CC(N(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 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
SCHEMBL9877218 0.94 POLB (0.58) POLBCYP3A4CYP2C9TDP1L3MBTL1
SCHEMBL9876990 0.91 POLB (0.53) POLBCYP3A4CYP2C9TDP1L3MBTL1
SCHEMBL10718302 0.88 POLB (0.51) POLBCYP3A4CYP2C9TDP1L3MBTL1
SCHEMBL10722631 0.83 POLB (0.47) POLBCYP3A4CYP2C9
SCHEMBL10719018 0.81 POLB (0.47) POLBCYP3A4CYP2C9ALDH1A1LMNA
SCHEMBL9824746 0.80 POLB (0.46) POLBCYP3A4CYP2C9ALDH1A1
SCHEMBL9825688 0.79 POLB (0.53) POLBCYP3A4CYP2C9TDP1L3MBTL1
SCHEMBL8177791 0.79 POLB (0.56) POLBCYP3A4CYP2C9TDP1L3MBTL1
SCHEMBL9825708 0.76 ALDH1A1 (0.46) POLBTDP1ALDH1A1
SCHEMBL9825374 0.74 ABCB1 (0.50) CYP3A4ALDH1A1

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
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 — — EP disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 — — EP disclosed
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