SCHEMBL30100461

SCHEMBL30100461

O=C(NCc1ccccc1)c1cc(Cl)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB P07437 2/20 0.75
HSP90AA1 P07900 1/20 0.69
TMPRSS4 Q9NRS4 2/20 0.65
P2RX1 P51575 1/20 0.65
HPGD P15428 3/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 2/20 0.64
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
RXFP1 Q9HBX9 1/20 0.60
KCNA5 P22460 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
CDK1 P06493 1/20 0.58
THRA P10827 1/20 0.58
THRB P10828 1/20 0.58

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
SCHEMBL13236587 1.00 TUBB (0.75) TUBBHSP90AA1TMPRSS4P2RX1HPGD
SCHEMBL13812818 0.92 TUBB (0.69) TUBBHSP90AA1TMPRSS4P2RX1HPGD
SCHEMBL23675446 0.91 TUBB (0.72) TUBBHSP90AA1TMPRSS4P2RX1HPGD
SCHEMBL13812834 0.90 TUBB (0.64) TUBBHSP90AA1TMPRSS4P2RX1HPGD
SCHEMBL23675443 0.90 P2RX1 (0.64) TUBBHSP90AA1TMPRSS4P2RX1HPGD
SCHEMBL13812814 0.89 TUBB (0.63) TUBBHSP90AA1TMPRSS4P2RX1HPGD
SCHEMBL3859317 0.88 TUBB (0.65) TUBBHSP90AA1TMPRSS4P2RX1HPGD
SCHEMBL14741282 0.88 HSP90AA1 (0.69) TUBBHSP90AA1HPGDLMNAALDH1A1
SCHEMBL13812594 0.88 TUBB (0.64) TUBBHSP90AA1TMPRSS4P2RX1HPGD
SCHEMBL4019571 0.87 TUBB (0.63) TUBBHSP90AA1TMPRSS4P2RX1HPGD

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
EP-4093401-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING The Board of Regents of the University of Texas System (US) 2022-11-30 EP disclosed