SCHEMBL9465687

SCHEMBL9465687

O=c1c(Cc2ccccc2)nc(-c2cccc(Cl)c2)nn1CCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ AVPR1B P47901 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41

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
SCHEMBL9465249 0.95 MAPT (0.49) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL9464598 0.93 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL9464655 0.90 AVPR1B (0.47) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL9464952 0.88 MAPT (0.46) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL9465787 0.87 MAPT (0.45) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL9464945 0.87 MAPT (0.45) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL9464810 0.86 SIGMAR1 (0.50) MAPTLMNAALDH1A1POLBMAPK1
SCHEMBL9464643 0.86 AVPR1B (0.46) MAPTKMT2AMEN1LMNAAVPR1B
SCHEMBL9465027 0.85 MAPT (0.54) SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL9465008 0.84 MAPT (0.47) SMN1; SMN2MAPTKMT2AMEN1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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