SCHEMBL31434680

SCHEMBL31434680

CCOC(=O)c1coc(Cc2ncc(-c3ccccc3)cn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
TARBP2 Q15633 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL31434857 0.84 CES1 (0.40) ALDH1A1HPGD
SCHEMBL11564835 0.81 CYP1A2 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAGABRA2
SCHEMBL31434793 0.81 NPC1 (0.46) MAPTSMN1; SMN2ALDH1A1LMNAGABRA2
SCHEMBL31434705 0.78 GABRA2 (0.41) MAPTSMN1; SMN2ALDH1A1LMNAGABRA2
SCHEMBL31434772 0.76 PPARA (0.47) MAPTSMN1; SMN2ALDH1A1GABRA2GABRB2
SCHEMBL31434637 0.76 CDC7 (0.47) MAPTSMN1; SMN2ALDH1A1LMNAGABRA2
SCHEMBL31434576 0.76 MAPT (0.51) MAPTSMN1; SMN2GABRA2GABRB2MAPK1
SCHEMBL31434754 0.76 GABRA2 (0.45) MAPTSMN1; SMN2ALDH1A1GABRA2GABRB2
SCHEMBL31434600 0.76 CYP1A2 (0.40) MAPTSMN1; SMN2ALDH1A1LMNAGABRA2
SCHEMBL2792417 0.76 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1LMNAGABRA2

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-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed