SCHEMBL7713758

SCHEMBL7713758

CC(=O)N[C@@H](CS)C(=O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CHKA P35790 1/20 0.35
UGCG Q16739 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL7719163 0.84 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7720938 0.83 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL23394687 0.83 CHRM5 (0.36) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL21036085 0.83 SIGMAR1 (0.37) SMN1; SMN2CHRM5CHRM3ALDH1A1CA2
SCHEMBL13409018 0.81 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4859643 0.80 PPID (0.45) KDM4EALDH1A1KMT2A
SCHEMBL14066122 0.80 PPID (0.45) KDM4EALDH1A1KMT2A
SCHEMBL7719250 0.80 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7718021 0.76 CA2 (0.38) CHRM5CHRM3CA2CA12CA1
SCHEMBL5967599 0.74 KDM4E (0.51) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed