SCHEMBL10931572

SCHEMBL10931572

CCCC(=O)n1ccc(N)nc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ F2 P00734 2/20 0.40
▸ ELANE P08246 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ EP300 Q09472 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ GABRP O00591 2/20 0.35
▸ GABRD O14764 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB1 P18505 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35

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
SCHEMBL11015092 0.89 EP300 (0.41) ELANEEP300GABRPGABRDGABRA1
SCHEMBL11018469 0.88 SQOR (0.43) ELANEEP300GABRPGABRDGABRA1
SCHEMBL3626600 0.88 SQOR (0.43) ELANEEP300GABRPGABRDGABRA1
SCHEMBL1334906 0.87 CYP11B1 (0.38) KMT2AELANEHSD17B10CYP1A2CYP2C19
SCHEMBL17371974 0.84 PDE3A (0.36) EP300LMNATHRBMTORMDM2
SCHEMBL21186 0.78 NOTUM (0.43) HSD17B10CYP1A2CYP2C19EP300LMNA
SCHEMBL17372494 0.76 PDE3A (0.36) EP300LMNATHRBMTORMDM2
Methane SCHEMBL27916787 0.76 NOTUM (0.42) HSD17B10CYP1A2CYP2C19EP300LMNA
SCHEMBL27819780 0.75 PARP1 (0.43) LMNATHRBMTORMDM2NCOA1
SCHEMBL10679054 0.75 LMNA (0.38) EP300LMNATHRBMTORMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60252493-A — — None — — JP disclosed
WO-2021161100-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2021-08-19 — — WO disclosed
WO-2021161099-A1 PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID FROM (R)-2-AMINOBUTANOIC ACID CHEMINOVA A/S (DK) 2021-08-19 — — WO disclosed
JP-S60252493-A PREPARATION OF CYTIDINE DERIVATIVE TAKEDA CHEM IND LTD 1985-12-13 — — JP disclosed
EP-0136693-A2 Production of cytidine derivatives Takeda Chemical Industries, Ltd. (JP) 1985-04-10 — — EP disclosed
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