SCHEMBL23402131

SCHEMBL23402131

CCc1nn(-c2ccccc2)c(O)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.41
KHK P50053 4/20 0.41
KDM4C Q9H3R0 1/20 0.41
PDE4D Q08499 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NR4A3 Q92570 1/20 0.40
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23401765 0.87 USP2 (0.49) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23402672 0.86 SMN1; SMN2 (0.40) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23399973 0.84 USP2 (0.44) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23398573 0.84 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1LMNAPDE4D
SCHEMBL23402601 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23402082 0.82 CACNA1H (0.47) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23399697 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23398516 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL23401911 0.80 DHODH (0.41) ALDH1A1MAPK1L3MBTL1TSHRPDE4D
SCHEMBL23399943 0.79 KDM4C (0.55) ALDH1A1MAPK1L3MBTL1GAALMNA

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed