SCHEMBL21761895

SCHEMBL21761895

CCN1CCN(c2ccc(NC)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.59
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
HPGD P15428 1/20 0.56
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTT P42858 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45

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
SCHEMBL13548708 0.90 MAPT (0.74) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL16655629 0.86 MAPT (0.45) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL16654009 0.85 TP53 (0.55) MAPTKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL2927491 0.82 GAA (0.55) MAPTALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL22652221 0.81 L3MBTL1 (0.51) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL16654429 0.81 GAA (0.61) MAPTALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL28404646 0.81 LMNA (0.45) MAPTKMT2AALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL28515207 0.80 GAA (0.59) MAPTALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL16653873 0.80 TP53 (0.47) MAPTKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL28610614 0.80 LMNA (0.42) MAPTKMT2AALDH1A1MAPK1L3MBTL1

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-2020038458-A1 CLASS OF FUSED RING TRIAZOLE COMPOUND, PREPARATION METHOD, AND USE 如东凌达生物医药科技有限公司 2020-02-27 WO disclosed