SCHEMBL28965728

SCHEMBL28965728

CCOC(=O)n1c(=O)oc2cc(Br)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TP53 P04637 3/20 0.60
LMNA P02545 7/20 0.58
KMT2A Q03164 5/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ASAH1 Q13510 2/20 0.49
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
CBX7 O95931 1/20 0.44
CDYL Q9Y232 1/20 0.44
CDY1; CDY1B Q9Y6F8 1/20 0.44
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5424142 0.73 LMNA (0.71) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL12061417 0.73 NPC1 (0.64) ALDH1A1TP53LMNAKMT2ASMN1; SMN2
SCHEMBL28965644 0.72 ALDH1A1 (0.54) ALDH1A1TP53LMNAKMT2ASMN1; SMN2
SCHEMBL25307601 0.72 L3MBTL1 (0.58) ALDH1A1TP53KMT2AHTTCBX7
SCHEMBL4423632 0.72 TSPO (0.57) ALDH1A1TP53LMNAKMT2APOLB
SCHEMBL4420217 0.71 TP53 (0.58) ALDH1A1TP53LMNAKMT2APOLB
SCHEMBL750636 0.71 ALDH1A1 (0.53) ALDH1A1TP53LMNAKMT2APOLB
SCHEMBL9614538 0.70 ALDH1A1 (0.49) ALDH1A1LMNAKMT2APOLBSMN1; SMN2
SCHEMBL25865290 0.70 KMO (0.52) ALDH1A1TP53MAPTCBX7CDYL
SCHEMBL5208539 0.70 ASAH1 (0.52) ALDH1A1TP53LMNAKMT2APOLB

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-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 CN disclosed