SCHEMBL30839701

SCHEMBL30839701

CN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
NR1H4 Q96RI1 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6355957 0.88 HSD17B10 (0.45) ALDH1A1NR1H4HSD17B10KMT2APDK1
SCHEMBL12013087 0.86 ALDH1A1 (0.47) ALDH1A1NR1H4MAPTNPC1RAB9A
SCHEMBL18147257 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL18157850 0.84 ALDH1A1 (0.45) ALDH1A1KMT2APDK1PDK2PDK3
SCHEMBL30369746 0.84 ALDH1A1 (0.45) ALDH1A1KMT2APDK1PDK2PDK3
SCHEMBL5671504 0.83 L3MBTL1 (0.49) ALDH1A1NR1H4KMT2AMAPTNPC1
SCHEMBL15156110 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL27270132 0.82 ALDH1A1 (0.42) ALDH1A1NR1H4HSD17B10KMT2AMAPT
SCHEMBL19442220 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL7270578 0.82 ALDH1A1 (0.42) ALDH1A1KMT2APDK1PDK2PDK3

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
CN-119948028-A Condensed-cyclic compound, pharmaceutical composition and application thereof 海南先声再明医药股份有限公司 2025-05-06 CN disclosed
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