SCHEMBL9256012

SCHEMBL9256012

Clc1c2c(nc3cc(C4CCCCC4)ccc13)CCCC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.50
ACHE P22303 8/20 0.48
BCHE P06276 4/20 0.48
CHRM1 P11229 1/20 0.48
EPHX2 P34913 1/20 0.48
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SMYD3 Q9H7B4 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL9248826 0.89 MAPT (0.60) MAPTALDH1A1HTTKMT2AACHE
SCHEMBL9248833 0.86 ACHE (0.62) ALDH1A1LMNAACHEBCHECHRM1
SCHEMBL9257907 0.81 ACHE (0.65) ALDH1A1LMNAACHEBCHECHRM1
SCHEMBL9259735 0.78 ACHE (0.63) ACHEBCHEGRIN1GRIN2A
SCHEMBL4266767 0.78 ACHE (0.74) MAPTACHEBCHECHRM1EPHX2
Hydrochloric Acid SCHEMBL9257228 0.77 ACHE (0.65) ACHEBCHEGRIN1GRIN2A
SCHEMBL15988214 0.77 ALDH1A1 (0.49) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL9255097 0.77 ACHE (0.65) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9255898 0.76 ACHE (0.47) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL29023219 0.76 ACHE (0.73) MAPTALDH1A1HTTKMT2AACHE

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-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed