SCHEMBL3141920

SCHEMBL3141920

Cc1nc(-c2cc(C(=O)NC(N)=S)no2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 5/20 0.42
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ECE1 P42892 1/20 0.38
POLB P06746 2/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CFTR P13569 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL15651553 0.82 RAB9A (0.49) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL2867522 0.77 NFKB1 (0.55) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL569698 0.77 ECE1 (0.56) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL3061177 0.76 RAB9A (0.52) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL2866116 0.76 LMNA (0.53) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL11723024 0.75 MAPT (0.57) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL3150658 0.75 EPHX1 (0.53) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL2868228 0.75 NPC1 (0.49) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL3145142 0.73 RAB9A (0.45) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL4366823 0.73 MAPT (0.50) RAB9AMAPTKDM4ESMN1; SMN2NPC1

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
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed