SCHEMBL31489168

SCHEMBL31489168

Nc1cccc(-c2cc(N)cc(C(=O)O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.57
MCL1 Q07820 1/20 0.56
MAOA P21397 1/20 0.55
KMO O15229 2/20 0.53
PBRM1 Q86U86 1/20 0.52
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 1/20 0.46
PRKDC P78527 1/20 0.45
GLA P06280 1/20 0.44

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
SCHEMBL20612659 0.93 KMO (0.63) DHODHKMORXRARXRBLMNA
SCHEMBL1252434 0.89 KMO (0.68) DHODHMCL1MAOAKMOPBRM1
SCHEMBL2726729 0.89 DHODH (0.65) DHODHMAOAKMOPBRM1RXRA
SCHEMBL2558630 0.86 KMO (0.51) DHODHKMORXRARXRBLMNA
SCHEMBL13525285 0.86 DHODH (0.70) DHODHKMORXRARXRB
SCHEMBL1142393 0.86 KDM4E (0.50) DHODHKMORXRARXRBKDM4E
SCHEMBL3791008 0.85 DHODH (0.57) DHODHMCL1MAOAPBRM1KDM4E
SCHEMBL2559724 0.84 TRIM24 (0.65) DHODHMCL1KMORXRARXRB
SCHEMBL3793183 0.84 MAOA (0.48) MCL1MAOAPBRM1KDM4EMEN1
SCHEMBL1750548 0.83 MAOA (0.63) DHODHMCL1MAOAKMORXRA

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-119463417-A High-heat-conductivity epoxy resin composite material and preparation method thereof 安徽邦德锐新材料科技有限公司 2025-02-18 CN claimed
CN-119463417-A High-heat-conductivity epoxy resin composite material and preparation method thereof 安徽邦德锐新材料科技有限公司 2025-02-18 CN disclosed