SCHEMBL7444648

SCHEMBL7444648

O=C1c2ccccc2C(=O)N1CCC(Br)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GLS O94925 1/20 0.49
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CASP3 P42574 2/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HEXA P06865 1/20 0.44
HEXB P07686 1/20 0.44
NPC1 O15118 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43

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
SCHEMBL5963204 0.83 ALDH1A1 (0.52) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL31425560 0.83 ALDH1A1 (0.52) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL368756 0.81 ALDH1A1 (0.65) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL4309242 0.79 ALDH1A1 (0.59) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL21801787 0.78 ALDH1A1 (0.61) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL10052097 0.78 ALDH1A1 (0.50) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL876560 0.78 SMN1; SMN2 (0.53) ALDH1A1MAPTNPSR1CASP3CA12
SCHEMBL1435917 0.77 ALDH1A1 (0.50) ALDH1A1GLSMAPTNPSR1CA12
SCHEMBL30852760 0.77 ALDH1A1 (0.50) ALDH1A1GLSMAPTNPSR1CA12
SCHEMBL28989527 0.77 ALDH1A1 (0.59) ALDH1A1GLS

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
EP-0511270-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
WO-1991010657-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed