SCHEMBL23399997

SCHEMBL23399997

Cc1cccc(-n2nccc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NR3C2 P08235 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PAX8 Q06710 1/20 0.45
HSP90AA1 P07900 1/20 0.44
MGLL Q99685 1/20 0.44
MAPK14 Q16539 2/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RPA1 P27694 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 1/20 0.41

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 SCHEMBL10340598 0.98 KMT2A (0.47) KMT2AALDH1A1L3MBTL1NR3C2NPC1
SCHEMBL6214118 0.81 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1NR3C2NPC1
SCHEMBL15555973 0.79 ALDH1A1 (0.47) KMT2AALDH1A1L3MBTL1NR3C2NPC1
SCHEMBL14696791 0.79 NR3C2 (0.46) KMT2ANR3C2NPC1MGLLMAPK14
SCHEMBL15428751 0.79 POLB (0.61) KMT2AALDH1A1L3MBTL1NR3C2NPC1
SCHEMBL15663976 0.79 NR3C2 (0.47) KMT2AALDH1A1L3MBTL1NR3C2NPC1
SCHEMBL23401516 0.77 ALDH1A1 (0.44) KMT2AALDH1A1L3MBTL1NR3C2NPC1
SCHEMBL5579308 0.77 POLB (0.57) NR3C2NPC1RAB9AHSP90AA1LMNA
SCHEMBL23399161 0.76 ALDH1A1 (0.45) KMT2AALDH1A1NPC1RAB9APAX8
SCHEMBL23403503 0.76 ALDH1A1 (0.67) KMT2AALDH1A1L3MBTL1NPC1RAB9A

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