SCHEMBL31570599

SCHEMBL31570599

Nc1ccc(N2CCOCC2)nc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.53
GAA P10253 4/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LGMN Q99538 1/20 0.46
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL939415 1.00 SMPD3 (0.53) SMPD3GAAMAPTCYP1A2CYP2D6
SCHEMBL2411298 0.84 SMPD3 (0.51) SMPD3GAAMAPTCYP1A2CYP2D6
SCHEMBL2412557 0.82 MAP4K4 (0.51) SMPD3GAAMAPTCYP1A2CRHBP
SCHEMBL24195931 0.82 SMPD3 (0.47) SMPD3GAAMAPTCYP1A2CYP2D6
SCHEMBL29762445 0.82 SMPD3 (0.47) SMPD3GAAMAPTCYP1A2CYP2D6
SCHEMBL31052606 0.82 MAPT (0.53) SMPD3GAAMAPTCYP1A2CYP2D6
SCHEMBL16908180 0.82 SMPD3 (0.50) SMPD3GAAMAPTCYP1A2CYP2D6
SCHEMBL5346983 0.82 MAPT (0.53) SMPD3GAAMAPTCYP1A2CYP2D6
SCHEMBL1912050 0.82 CRHBP (0.53) SMPD3GAAMAPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6337864 0.81 MAP4K4 (0.50) SMPD3GAAMAPTCYP1A2CRHBP

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-2025099451-A1 NEW COMPOUNDS AND METHODS Transition Bio Limited (GB) 2025-05-15 WO disclosed