SCHEMBL30839697

SCHEMBL30839697

CN(CCOCc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX5 P09917 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.36
KAT6A Q92794 1/20 0.36
KAT5 Q92993 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 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
SCHEMBL23882988 0.91 ALDH1A1 (0.38) KMT2AALDH1A1MAPTTDP1RAB9A
SCHEMBL30839695 0.84 MEN1 (0.38) KMT2AALDH1A1MAPTRAB9ANR1H4
SCHEMBL4009169 0.83 RAB9A (0.55) KMT2AALDH1A1MAPTTDP1RAB9A
SCHEMBL30839698 0.82 NR1H4 (0.42) NR1H4KAT6AKAT5
SCHEMBL30839700 0.80 KMT2A (0.47) KMT2AALDH1A1MAPTTDP1RAB9A
SCHEMBL8164140 0.78 KMT2A (0.44) KMT2AALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL31534607 0.77 RAB9A (0.45) KMT2AALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL991359 0.76 GAA (0.48) ALDH1A1MAPTLMNA
SCHEMBL991681 0.75 KCNH2 (0.54) MAPT
SCHEMBL28881348 0.74 RAB9A (0.45) KMT2AALDH1A1MAPTTDP1RAB9A

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
WO-2024067792-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 海南先声再明医药股份有限公司 2024-04-04 WO disclosed