SCHEMBL31448009

SCHEMBL31448009

Cc1cccc2[nH]cc(C=CC(=O)O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 2/20 0.46
TDO2 P48775 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL20441023 0.89 PTGER4 (0.45) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL25381524 0.89 PTGER4 (0.45) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL16713913 0.81 TDO2 (0.52) GPR84MEN1MAPTKMT2AALDH1A1
SCHEMBL31447964 0.81 NR4A2 (0.49) GPR84MEN1MAPTKMT2AALDH1A1
SCHEMBL3558026 0.81 CYP2A6 (0.64) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL31448012 0.81 CYP2A6 (0.64) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL31447990 0.81 TDO2 (0.52) GPR84MEN1MAPTKMT2AALDH1A1
SCHEMBL3558032 0.81 CYP2A6 (0.64) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL16713915 0.81 TDO2 (0.52) GPR84MEN1MAPTKMT2AALDH1A1
SCHEMBL29954717 0.78 CYP2A6 (0.64) GPR84MAPTALDH1A1KDM4ECYP1A2

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