SCHEMBL9624258

SCHEMBL9624258

CN(CCCc1cccs1)CCCN1Cc2cc3c(cc2C1)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPM8 Q7Z2W7 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
SCHEMBL9624080 0.95 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL9624528 0.87 LMNA (0.46) SMN1; SMN2ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL9623748 0.84 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAKMT2AKDM4E
SCHEMBL9625199 0.83 LMNA (0.45) SMN1; SMN2ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL9624612 0.82 LMNA (0.46) SMN1; SMN2ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL9624353 0.82 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACLK1CLK2
SCHEMBL9625192 0.82 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL9623708 0.81 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNAKMT2AKDM4E
SCHEMBL9624739 0.79 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAKMT2AKDM4E
SCHEMBL9623637 0.79 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed