SCHEMBL28044441

SCHEMBL28044441

CN(CC[As](C)C)c1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.41
ALDH1A1 P00352 3/20 0.41
DTYMK P23919 1/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.38
RXRA P19793 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
MMP14 P50281 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 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
Hydrochloric Acid SCHEMBL28044440 0.99 HCAR3 (0.41) HCAR3ALDH1A1DTYMKMAPTNPSR1
SCHEMBL27785428 0.85 HCAR3 (0.44) HCAR3ALDH1A1DTYMKMAPTNPSR1
SCHEMBL28044438 0.85 HCAR3 (0.45) HCAR3ALDH1A1DTYMKMAPTNPSR1
Hydrochloric Acid SCHEMBL590351 0.84 HCAR3 (0.43) HCAR3ALDH1A1DTYMKMAPTNPSR1
Hydrochloric Acid SCHEMBL28824557 0.84 HCAR3 (0.44) HCAR3ALDH1A1DTYMKMAPTNPSR1
SCHEMBL28144494 0.83 MAPT (0.34) HCAR3ALDH1A1MAPTNPSR1PTGS2
Hydrochloric Acid SCHEMBL591231 0.82 MMP14 (0.42) HCAR3ALDH1A1DTYMKMAPTNPSR1
SCHEMBL27785401 0.81 HCAR3 (0.41) HCAR3ALDH1A1DTYMKMAPTNPSR1
Hydrochloric Acid SCHEMBL590920 0.80 HCAR3 (0.40) HCAR3ALDH1A1DTYMKMAPTNPSR1
SCHEMBL1371283 0.79 MAPT (0.57) HCAR3ALDH1A1DTYMKMAPTNPSR1

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
CN-101594862-B Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-25 CN disclosed