SCHEMBL31337366

SCHEMBL31337366

O=C(Nc1ccccc1)c1ccc(-c2ccccc2O)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 11/20 0.72
MAPT P10636 10/20 0.72
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
MAPK1 P28482 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
RAB9A P51151 5/20 0.72
CASP3 P42574 3/20 0.72
SENP7 Q9BQF6 3/20 0.72
RECQL P46063 2/20 0.72
ALDH1A1 P00352 5/20 0.67
POLB P06746 3/20 0.67
GAA P10253 1/20 0.67
HPGD P15428 5/20 0.63
PTPN1 P18031 1/20 0.61
PTPN11 Q06124 1/20 0.61
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 2/20 0.59
TDP1 Q9NUW8 4/20 0.58
NPC1 O15118 3/20 0.57

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
SCHEMBL31337194 0.89 MAPT (0.65) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL5784045 0.81 PTPN1 (0.82) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL31337267 0.77 ALDH1A1 (0.74) LMNAMAPTMAPK1SMN1; SMN2RAB9A
SCHEMBL31337212 0.75 PTPN1 (0.64) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL23091217 0.75 PTPN1 (0.76) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL5784054 0.75 PTPN1 (0.68) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL23091206 0.74 PTPN1 (0.66) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL23091179 0.73 PTPN1 (0.61) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL30501738 0.73 PTPN1 (0.61) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL28958728 0.72 RAB9A (0.63) LMNAMAPTMEN1KMT2AMAPK1

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
WO-2025022031-A1 NEW DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2025-01-30 WO disclosed