SCHEMBL9268561

SCHEMBL9268561

CCCOc1ccc(-c2ccc(N)nn2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 1/20 0.46
MPO P05164 1/20 0.44
FPR2 P25090 6/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
XDH P47989 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.40
NOS1 P29475 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 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
SCHEMBL9325535 0.95 FPR2 (0.47) TRPC6FPR2MAPTMEN1KMT2A
SCHEMBL12989431 0.88 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1752782 0.85 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9179120 0.84 MAPT (0.43) FPR2MAPTMEN1KMT2AALDH1A1
SCHEMBL9263478 0.83 XDH (0.59) TRPC6MAPTMEN1KMT2AALDH1A1
SCHEMBL9324686 0.82 FPR2 (0.46) TRPC6FPR2MAPTMEN1KMT2A
SCHEMBL9325828 0.79 MAPT (0.47) FPR2MAPTMEN1KMT2AALDH1A1
SCHEMBL9325859 0.78 FPR2 (0.47) FPR2MAPTMEN1KMT2AALDH1A1
SCHEMBL12989185 0.78 QPCT (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9271648 0.78 SMN1; SMN2 (0.43) TRPC6MAPTMEN1KMT2AALDH1A1

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
US-5449676-A Bronchodilator agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-09-12 US disclosed
EP-0581805-A1 NOVEL PYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-02-09 EP disclosed
WO-1992019602-A1 NOVEL PYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-11-12 WO disclosed
EP-0510562-A1 Pyridazines Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-10-28 EP disclosed