SCHEMBL11569375

SCHEMBL11569375

N#CCc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 4/20 0.63
NPC1 O15118 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP19A1 P11511 2/20 0.52
SREBF2 Q12772 2/20 0.49
GFER P55789 1/20 0.49
MAPT P10636 4/20 0.48
ATM Q13315 1/20 0.48
ATP4A P20648 1/20 0.47
ATP4B P51164 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
CDC25C P30307 1/20 0.47
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL11466217 0.84 KDM4E (0.86) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL2226546 0.80 ALDH1A1 (0.56) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL2222461 0.80 GFER (0.66) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL7534286 0.80 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL7676006 0.80 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL4281217 0.78 RAB9A (0.75) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL11455457 0.78 RAB9A (0.75) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL4283884 0.78 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL23578319 0.77 MAOB (0.47) LMNANPC1MEN1KMT2AMAPT
Methane SCHEMBL4574569 0.77 IDO1 (0.44) KDM4ESMN1; SMN2LMNANPC1MEN1

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
JP-54066674-A None JP disclosed
JP-S5466674-A NOVEL PHENYLACETIC ACID DERIVATIVE HISAMITSU PHARMACEUT CO INC 1979-05-29 JP disclosed