SCHEMBL9830583

SCHEMBL9830583

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 3/20 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
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
SCHEMBL9833771 0.95 MAPT (0.38) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9832464 0.87 TDP2 (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9834174 0.86 CYP1A2 (0.38) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9830748 0.84 ALDH1A1 (0.34) MAPTALDH1A1TDP1KMT2AKDM4E
SCHEMBL9831629 0.82 TDP2 (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9831111 0.77 PGR (0.48) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9832370 0.76 PGR (0.40) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9831885 0.75 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2C9TDP1
SCHEMBL9834197 0.74 CYP1A2 (0.39) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9833897 0.73 KMT2A (0.43) MAPTALDH1A1CYP1A2CYP2C9TDP1

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