SCHEMBL31448048

SCHEMBL31448048

O=C(O)C=Cc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ TDO2 P48775 1/20 0.56
▸ MAPT P10636 5/20 0.52
▸ CHRNA7 P36544 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL19178949 1.00 KMT2A (0.56) KMT2AMEN1TDO2MAPTCHRNA7
SCHEMBL31447968 0.88 TDO2 (0.68) KMT2AMEN1TDO2MAPTNPC1
SCHEMBL19179799 0.88 TDO2 (0.68) KMT2AMEN1TDO2MAPTNPC1
SCHEMBL31447925 0.81 TDO2 (0.56) KMT2AMEN1TDO2MAPTCHRNA7
SCHEMBL15229561 0.81 TDO2 (0.56) KMT2AMEN1TDO2MAPTCHRNA7
SCHEMBL15229559 0.81 TDO2 (0.56) KMT2AMEN1TDO2MAPTCHRNA7
SCHEMBL31448093 0.81 TDO2 (0.78) KMT2AMEN1TDO2MAPTCHRNA7
SCHEMBL19178972 0.81 TDO2 (0.78) KMT2AMEN1TDO2MAPTCHRNA7
SCHEMBL19178918 0.81 F7 (0.59) KMT2AMEN1TDO2MAPTCHRNA7
SCHEMBL31510896 0.81 KMT2A (0.61) KMT2AMEN1MAPTCHRNA7NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119330869-A Indole acrylic amide derivative and preparation method and application thereof 常州大学 2025-01-21 — — CN claimed
CN-119330869-A Indole acrylic amide derivative and preparation method and application thereof 常州大学 2025-01-21 — — CN disclosed
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