SCHEMBL23045895

SCHEMBL23045895

O=C(NC(=O)C1CCC1)Nc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
RAB9A P51151 6/20 0.62
GAA P10253 2/20 0.62
NPC1 O15118 4/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
EPHX1 P07099 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 2/20 0.50
PTPN1 P18031 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL25298953 0.86 RAB9A (0.70) KMT2ARAB9AGAANPC1SMN1; SMN2
SCHEMBL9198985 0.83 PTPN1 (0.71) KMT2ARAB9AGAANPC1ALDH1A1
SCHEMBL9342656 0.79 KMT2A (0.72) KMT2ARAB9AGAANPC1SMN1; SMN2
SCHEMBL23747596 0.79 RAB9A (0.63) KMT2ARAB9AGAANPC1ALDH1A1
SCHEMBL23747820 0.76 RAB9A (0.63) KMT2ARAB9ANPC1ALDH1A1EPHX1
SCHEMBL23747819 0.75 RAB9A (0.61) KMT2ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL11048619 0.74 MEN1 (0.76) KMT2ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4741253 0.74 MEN1 (0.76) KMT2ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL17730000 0.73 KMT2A (0.64) KMT2ARAB9AGAANPC1SMN1; SMN2
SCHEMBL2752138 0.73 EPHX1 (0.97) KMT2ARAB9AGAANPC1ALDH1A1

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
WO-2021039791-A1 MEDICINAL COMPOSITION FOR PREVENTING OR TREATING ANGIOGENESIS-RELATED DISEASES 国立大学法人山口大学 2021-03-04 WO claimed
WO-2021039791-A1 MEDICINAL COMPOSITION FOR PREVENTING OR TREATING ANGIOGENESIS-RELATED DISEASES 国立大学法人山口大学 2021-03-04 WO disclosed