SCHEMBL12461473

SCHEMBL12461473

Cc1ccnc(NC(=O)CO)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
MAPK10 P53779 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
MAPK8 P45983 1/20 0.58
GSK3A P49840 1/20 0.58
HIPK1 Q86Z02 1/20 0.58
RIOK2 Q9BVS4 1/20 0.58
SNRK Q9NRH2 1/20 0.58
POLB P06746 2/20 0.57
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL8240613 0.86 RAB9A (0.59) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL13922914 0.86 RAB9A (0.59) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL1431669 0.85 RAB9A (0.58) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL22281368 0.85 POLB (0.59) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL12062262 0.85 ALDH1A1 (0.60) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL5197796 0.85 MAPT (0.60) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL30440556 0.85 RAB9A (0.58) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL13922820 0.83 RAB9A (0.64) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL19116541 0.82 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL8434070 0.82 RAB9A (0.67) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1

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-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed