SCHEMBL9832724

SCHEMBL9832724

COC(=O)C1(C)C(=O)Nc2cc(N)c(N)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.31
MAPK14 Q16539 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9833427 0.84 TDP1 (0.39) MAPTPOLBALDH1A1HPGDLMNA
SCHEMBL9833004 0.84 CYP1A2 (0.39) MAPTPOLBALDH1A1HPGDLMNA
SCHEMBL9832441 0.84 MAPT (0.41) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL9833981 0.82 MAPK14 (0.33) KDM4EMAPTALDH1A1MAPK14SMN1; SMN2
SCHEMBL9834492 0.78 KDM4E (0.34) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL9835008 0.78 KDM4E (0.34) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL31730384 0.77 PIM1 (0.46) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL31730669 0.77 PIM1 (0.46) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL12713566 0.77 PIM1 (0.46) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL23578378 0.76 MEN1 (0.37) KDM4EMAPTPOLBALDH1A1HPGD

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