SCHEMBL31283271

SCHEMBL31283271

N#Cc1ccn(CCO)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NR1I2 O75469 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AHR P35869 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31

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
SCHEMBL29530710 0.89 SLC6A2 (0.32) ARMAPTKMT2AMEN1SLC6A2
SCHEMBL5569537 0.78 MGAT2 (0.37) KMT2ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL21265281 0.77 AR (0.40) ARMAPTKMT2ASLC6A2SLC6A4
SCHEMBL2186034 0.76
SCHEMBL15096488 0.76
SCHEMBL24309296 0.75 MGAT2 (0.42) MAPTALDH1A1MAPK1
SCHEMBL28680569 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL4530377 0.72 AR (0.34) ARSLC6A2SLC6A4SLC6A3GABRD
SCHEMBL29542342 0.70 SIGMAR1 (0.39) SLC6A2SLC6A4SLC6A3GABRDGABRA1
SCHEMBL1662809 0.69

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-119371419-A PKMYT1 kinase inhibitors 杭州邦顺制药有限公司 2025-01-28 CN disclosed