SCHEMBL14558317

SCHEMBL14558317

CC(C)c1nc(-c2ccncc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 4/20 0.50
KMT2A Q03164 3/20 0.49
AR P10275 2/20 0.49
CYP19A1 P11511 1/20 0.47
LMNA P02545 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43
ROCK2 O75116 2/20 0.43

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
SCHEMBL2754043 0.85 ALDH1A1 (0.55) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL2609421 0.83 RAB9A (0.53) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL22824711 0.83 MAPT (0.45) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL2609415 0.81 RAB9A (0.56) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL534352 0.81 PIK3CD (0.38) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL2513271 0.81 RAB9A (0.58) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL2222772 0.81 ATP4A (0.49) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL10052165 0.81 KMT2A (0.58) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL12297331 0.81 RAB9A (0.56) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL10022327 0.81 CYP19A1 (0.61) RAB9ASMN1; SMN2KDM4ENPC1CYP19A1

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-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed