SCHEMBL19554261

SCHEMBL19554261

CCOc1cc(N)c(C(=O)O)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 3/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
MAP4K2 Q12851 1/20 0.40
PKN2 Q16513 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
STK17A Q9UEE5 1/20 0.40

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
SCHEMBL19554334 0.86 KDM4E (0.53) XDHALDH1A1HPGDHSD17B10TSHR
SCHEMBL6483619 0.83 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL10801182 0.82 TSHR (0.64) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL19554245 0.82 XDH (0.48) XDHMAP4K4
SCHEMBL23915464 0.81 ALDH1A1 (0.44) XDHALDH1A1HPGDHSD17B10KDM4E
SCHEMBL9862178 0.79 ALDH1A1 (0.47) XDHALDH1A1HPGDHSD17B10KDM4E
Acetoacetic Acid SCHEMBL27837206 0.79 XDH (0.41) XDHALDH1A1HPGDHSD17B10KDM4E
SCHEMBL28025236 0.78 TSHR (0.50) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL1730515 0.78 TSHR (0.50) XDHALDH1A1HPGDHSD17B10TSHR
SCHEMBL11167484 0.77 HSD17B10 (0.49) ALDH1A1HPGDHSD17B10TSHRNPC1

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-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed