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SCHEMBL11020060

SCHEMBL11020060

CC1(C)C(=S)Nc2cc([N+](=O)[O-])c(N)cc21.CC1C(=S)Nc2cc([N+](=O)[O-])c(N)cc21.CCC1C(=S)Nc2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MPI P34949 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL9833740 0.84 MAPT (0.40) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9832383 0.81 CYP1A2 (0.41) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9831689 0.80 MAPT (0.40) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9832576 0.80 TDP1 (0.48) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9833325 0.76 CYP1A2 (0.41) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9832787 0.75 CYP1A2 (0.45) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9832618 0.72 PGR (0.40) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9833104 0.68 PGR (0.48) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9832370 0.67 PGR (0.40) MPITDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2487418 0.66 TDP1 (0.49) MPITDP1CYP1A2CYP2C9CYP2C19

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-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 — — EP disclosed