SCHEMBL21914567

SCHEMBL21914567

Cn1nc(C(C)(C)C)nc1-c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
HSD17B2 P37059 1/20 0.45
KDM4C Q9H3R0 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS1 P23219 1/20 0.38
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
ESRRA P11474 1/20 0.37
ESR1 P03372 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
SCHEMBL12340918 0.81 NR1H2 (0.61) AOC3HSD17B2KDM4CSIGMAR1NR1H2
SCHEMBL2645379 0.79 HSD17B2 (0.49) HSD17B2KDM4CNR1H2NR1H3NPC1
SCHEMBL10915728 0.74 ALDH1A1 (0.50) HSD17B2KDM4CNR1H2NR1H3NPC1
SCHEMBL21914818 0.72 AOC3 (0.58) AOC3HSD17B2KDM4CSIGMAR1NR1H2
SCHEMBL21889053 0.71 SIGMAR1 (0.43) HSD17B2KDM4CSIGMAR1NPC1RAB9A
SCHEMBL20320456 0.68 AOC3 (0.33) AOC3
SCHEMBL25292908 0.67 SIGMAR1 (0.43) AOC3HSD17B2SIGMAR1NR1H2NR1H3
SCHEMBL2644692 0.67 KDM4C (0.55) HSD17B2KDM4CNR1H2NR1H3NPC1
SCHEMBL15299220 0.67 TP53 (0.44) AOC3SIGMAR1NR1H2NR1H3NPC1
SCHEMBL417834 0.67 SIGMAR1 (0.54) SIGMAR1NR1H2NR1H3NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed