SCHEMBL9624528

SCHEMBL9624528

Cc1cc2c(cc1C)CN(CCCN(C)CCCc1cccs1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL9625199 0.96 LMNA (0.45) LMNAL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL9624612 0.95 LMNA (0.46) LMNAL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL9623748 0.87 ALDH1A1 (0.56) LMNAALDH1A1KMT2AKDM4EALOX15
SCHEMBL9624258 0.87 SMN1; SMN2 (0.42) LMNAL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL9623708 0.83 ALDH1A1 (0.55) LMNAALDH1A1KMT2AKDM4EALOX15
SCHEMBL9624739 0.82 ALDH1A1 (0.56) LMNAALDH1A1KMT2AKDM4EALOX15
SCHEMBL9624080 0.82 SMN1; SMN2 (0.39) LMNAL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL9624134 0.81 L3MBTL1 (0.38) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL9624961 0.81 LMNA (0.39) LMNAL3MBTL1ALDH1A1KMT2AGPR55
SCHEMBL9624441 0.78 L3MBTL1 (0.37) LMNAL3MBTL1ALDH1A1KMT2APTGS1

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