SCHEMBL8315752

SCHEMBL8315752

Cc1cc2cn[nH]c(=O)c2n1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 9/20 0.35
KDM4E B2RXH2 6/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4A O75164 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
PDE2A O00408 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8313656 0.76 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL9739218 0.73 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8312892 0.72 TYMS (0.58) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL8312333 0.69 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8318390 0.69 CYP11B2 (0.31) MEN1KMT2A
SCHEMBL29776965 0.63 B3GNT2 (0.43) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL2474620 0.63 HTR2A (0.32) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4763472 0.62 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL23122485 0.62 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL20853011 0.62 CCR2 (0.38) MEN1KMT2AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609328-B1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-28 EP disclosed
US-5534515-A Pyrrolopyridazines having gastrointestinal protective effects BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-07-09 US disclosed
WO-1993008190-A1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-04-29 WO disclosed