SCHEMBL22281368

SCHEMBL22281368

Cc1ccnc(NC(=O)CI)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK10 P53779 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
MAPK8 P45983 1/20 0.57
GSK3A P49840 1/20 0.57
HIPK1 Q86Z02 1/20 0.57
RIOK2 Q9BVS4 1/20 0.57
SNRK Q9NRH2 1/20 0.57
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL12461473 0.85 RAB9A (0.59) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL8240613 0.85 RAB9A (0.59) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13922914 0.85 RAB9A (0.59) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1431669 0.83 RAB9A (0.58) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL12062262 0.83 ALDH1A1 (0.60) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL30440556 0.83 RAB9A (0.58) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5197796 0.83 MAPT (0.60) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL91475 0.82 ALDH1A1 (0.60) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13922820 0.82 RAB9A (0.64) POLBRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL25046270 0.81 RAB9A (0.56) POLBRAB9ASMN1; SMN2NPC1MEN1

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
WO-2020154541-A1 COMPACT HYDROXAMATE-BASED AFFINITY TAGS FOR ARTIFICIALLY TAGGING BIOLOGICAL MACROMOLECULES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-07-30 WO disclosed