SCHEMBL8313591

SCHEMBL8313591

COc1ccc(Cn2c(C)cc3cnnc(Cl)c32)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
TYMS P04818 1/20 0.49
PDE1B Q01064 6/20 0.46
PDE1C Q14123 6/20 0.46
PDE1A P54750 5/20 0.46
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.41
CCR2 P41597 1/20 0.41
GAA P10253 3/20 0.40
GFER P55789 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL8316752 0.84 TYMS (0.45) DCTPP1KDM4EALDH1A1MAPTTYMS
SCHEMBL2475307 0.81 ALDH1A1 (0.51) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL8315901 0.80 ALDH1A1 (0.54) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL8311879 0.79 GABRA1 (0.44) KDM4EALDH1A1MAPTALOX15TYMS
SCHEMBL8312892 0.75 TYMS (0.58) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL6085466 0.70 CCR2 (0.67) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL8316587 0.70 ALDH1A1 (0.50) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL27204179 0.70 KDM4E (0.58) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL8924914 0.69 KDM4E (1.00) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL8318381 0.68 KMT2A (0.42) KDM4EALDH1A1MAPTTYMSLMNA

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