SCHEMBL21623645

SCHEMBL21623645

O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 10/20 0.73
ICAM1 P05362 10/20 0.73
ITGAL P20701 10/20 0.73
FPR2 P25090 1/20 0.72
ERAP2 Q6P179 1/20 0.72
MMP2 P08253 1/20 0.66
MMP9 P14780 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA9 Q16790 1/20 0.64
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63

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
SCHEMBL11873894 1.00 ITGB2 (0.73) ITGB2ICAM1ITGALFPR2ERAP2
SCHEMBL30616778 0.92 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CA12
SCHEMBL9466705 0.92 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CA12
SCHEMBL5259129 0.92 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CA12
SCHEMBL5191302 0.92 ITGB2 (0.78) ITGB2ICAM1ITGALERAP2CA12
SCHEMBL11870861 0.91 ERAP2 (0.76) ITGB2ICAM1ITGALERAP2CA12
SCHEMBL22206878 0.90 ITGB2 (0.77) ITGB2ICAM1ITGALERAP2CA12
SCHEMBL22206876 0.90 ITGB2 (0.77) ITGB2ICAM1ITGALERAP2CA12
SCHEMBL9828348 0.89 ERAP2 (0.74) ITGB2ICAM1ITGALERAP2CA12
SCHEMBL9828342 0.89 ERAP2 (0.74) ITGB2ICAM1ITGALERAP2CA12

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-2020014726-A1 TREATMENT FOR LIVER REGENERATION XENEXUS PHARMACEUTICALS PTY. LTD. (AU) 2020-01-23 WO disclosed