SCHEMBL31539944

SCHEMBL31539944

Nc1c(-c2ccccc2C(=O)c2ccccc2)oc2cccc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.45
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 1/20 0.37
TTR P02766 2/20 0.37

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
SCHEMBL30780353 0.78 NPC1 (0.63) MAPTNPC1KMT2AALDH1A1POLB
SCHEMBL1569037 0.74 GAA (0.58) MAPK14MAPTGAAKMT2AALDH1A1
SCHEMBL31366601 0.74 GAA (0.58) MAPK14MAPTGAAKMT2AALDH1A1
SCHEMBL27803960 0.72 AKR1C3 (0.53) MAPK14MAPTGAAKMT2AALDH1A1
SCHEMBL27729040 0.71 TSHR (0.52) MAPK14MAPTGAAKMT2AALDH1A1
SCHEMBL23098845 0.70 TTR (0.48) MAPTGAANPC1KMT2AALDH1A1
SCHEMBL1666903 0.69 CYP2C9 (0.49) MAPTGAANPC1KMT2AALDH1A1
SCHEMBL31539941 0.69 MAPT (0.43) MAPK14MAPTGAANPC1KMT2A
SCHEMBL49873 0.68 KMT2A (0.65) MAPTGAANPC1KMT2AALDH1A1
SCHEMBL29434816 0.68 KMT2A (0.65) MAPTGAANPC1KMT2AALDH1A1

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-119698419-A Material for organic electroluminescent device 默克专利有限公司 2025-03-25 CN disclosed