SCHEMBL8316729

SCHEMBL8316729

Cc1cc2c(Cl)nnc(Cl)c2n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TYMS P04818 1/20 0.45
BRD4 O60885 3/20 0.45
NOTUM Q6P988 1/20 0.44
TNF P01375 1/20 0.43
KMT2A Q03164 4/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 3/20 0.40
NR2F2 P24468 1/20 0.40
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL8459060 0.84 DYRK1A (0.43) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8314143 0.84 DYRK1A (0.43) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8315901 0.82 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL8316752 0.78 TYMS (0.45) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8316587 0.77 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL8312429 0.77 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL2475184 0.73 TYMS (0.46) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8311469 0.72 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1SMN1; SMN2TSHR
SCHEMBL9754273 0.72 FABP4 (0.49) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8313452 0.71 ALDH1A1 (0.56) 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 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