SCHEMBL8314346

SCHEMBL8314346

Cc1c(C=O)c2cnnc(OCc3ccccc3)c2n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DYRK1A Q13627 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8317417 0.94 LMNA (0.53) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL8940618 0.93 LMNA (0.44) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL8314257 0.83 MAPT (0.47) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL9739298 0.81 CYP3A4 (0.54) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL8315989 0.81 CYP1A2 (0.43) NPSR1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9738512 0.79 CYP3A4 (0.67) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL8313968 0.79 ALDH1A1 (0.42) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9738841 0.78 CYP1A2 (0.52) LMNANPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL8315158 0.78 ALDH1A1 (0.51) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL8317759 0.78 CYP3A4 (0.54) LMNANPSR1ALDH1A1KMT2ACYP1A2

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