SCHEMBL8313452

SCHEMBL8313452

Cc1cc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
TYMS P04818 1/20 0.53
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 4/20 0.50
ATM Q13315 1/20 0.47
NOTUM Q6P988 1/20 0.47
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
C5AR1 P21730 1/20 0.43
TSHR P16473 3/20 0.42
PSMD14 O00487 1/20 0.42

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
SCHEMBL3198861 0.74 SMN1; SMN2 (0.61) ALDH1A1MAPTLMNATYMSMAPK1
SCHEMBL7835720 0.72 KMT2A (0.69) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8313656 0.71 KDM4E (0.56) ALDH1A1MAPTLMNATYMSMAPK1
SCHEMBL4480638 0.71 HPGD (0.66) ALDH1A1MAPTLMNATYMSMAPK1
SCHEMBL8316729 0.71 ALDH1A1 (0.50) ALDH1A1MAPTLMNATYMSMAPK1
SCHEMBL14038766 0.69 KMT2A (0.56) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL4490722 0.69 KMT2A (0.64) ALDH1A1MAPTLMNATYMSMAPK1
SCHEMBL31560452 0.67 ALDH1A1 (0.57) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL9453672 0.67 GSK3A (0.57) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4392970 0.67 LMNA (0.60) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2

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-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
EP-0609328-A1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-08-10 EP disclosed
WO-1993008190-A1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-04-29 WO disclosed