SCHEMBL31213402

SCHEMBL31213402

COc1ccc(/C(=N/Nc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
ALDH1A1 P00352 7/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
GAA P10253 4/20 0.63
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 2/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
CTSK P43235 2/20 0.51
KCNK9 Q9NPC2 1/20 0.51

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
SCHEMBL3897182 0.95 MAPT (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8138395 0.85 MAPT (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8138399 0.85 MAPT (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23817280 0.84 NPC1 (0.57) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL934433 0.84 GAA (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23392549 0.83 GAA (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29420484 0.81 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14793650 0.80 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31213417 0.77 GAA (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18692397 0.77 MAPT (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-118880357-A Benzoxazine derivative and electrochemical synthesis method thereof 齐齐哈尔医学院 2024-11-01 CN disclosed