SCHEMBL9833771

SCHEMBL9833771

COC(=O)C1C(=O)Nc2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCC4 O15439 1/20 0.38
PLIN1 O60240 1/20 0.38
CACNA1F O60840 1/20 0.38
GMNN O75496 1/20 0.38
KCNK2 O95069 1/20 0.38
ABCB11 O95342 1/20 0.38
GSR P00390 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9830583 0.95 MAPT (0.38) MAPTALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL9831629 0.87 TDP2 (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9830748 0.84 ALDH1A1 (0.34) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL9832464 0.82 TDP2 (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9834174 0.81 CYP1A2 (0.38) MAPTALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL9833104 0.77 PGR (0.48) MAPTALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL9832618 0.76 PGR (0.40) MAPTALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL9832041 0.74 CYP1A2 (0.39) MAPTALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL9831885 0.73 MAPT (0.43) MAPTALDH1A1TDP1CYP1A2CYP2C9
SCHEMBL9832294 0.72 MAPT (0.57) MAPTALDH1A1HPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed
CN-85103724-B Process for preparing pyrrolobenzimidazoles 曼海姆伯灵格股份公司 1988-07-06 CN disclosed
CN-85103724-A The method for preparing novel pyrrolo-benzoglyoxaline 1986-07-02 CN disclosed