SCHEMBL11148699

SCHEMBL11148699

CC(=O)Nc1nc2cc(C(=CCl)C3CCC3)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.52
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ITK Q08881 2/20 0.36
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL11146005 0.86 NOD1 (0.53) NOD1USP2GAAATMITK
SCHEMBL11148695 0.77 NOD1 (0.50) NOD1GAAPIK3C3CYP1A2CYP2C9
SCHEMBL11145982 0.74 NOD1 (0.51) NOD1GAAPIK3C3CYP1A2CYP2C9
SCHEMBL11156222 0.74 NOD1 (0.48) NOD1GAAPIK3C3CYP1A2CYP2C9
SCHEMBL11198021 0.72 NOD1 (0.51) NOD1USP2GAAATMCYP1A2
SCHEMBL11156172 0.63 NOD1 (0.40) NOD1ITKCYP1A2CYP2C9CYP2C19
SCHEMBL11156174 0.62 NOD1 (0.39) NOD1ITKCYP1A2CYP2C9CYP2C19
SCHEMBL11148594 0.62 NOD1 (0.42) NOD1ITKTP53POLBHDAC6
SCHEMBL29526316 0.61 ALDH3A1 (0.50) NOD1GAATP53KDM4EALDH1A1
SCHEMBL16818904 0.61 ALDH3A1 (0.50) NOD1GAATP53KDM4EALDH1A1

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
US-4420479-A 1-SUBSTITUTED, 2-AMINO-BENZIMIDAZOLES ELI LILLY AND COMPANY (US) 1983-12-13 — — US disclosed
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