SCHEMBL7520218

SCHEMBL7520218

NCc1cccc(CNC(=O)COCc2nc3ccccc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
HPGD P15428 4/20 0.52
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.52
CSNK1D P48730 1/20 0.50
KLKB1 P03952 1/20 0.48
KLK1 P06870 1/20 0.48
HTT P42858 3/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
LIPG Q9Y5X9 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
UBE2T Q9NPD8 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL7523190 0.84 HPGD (0.67) KMT2AHPGDPOLBATMKLKB1
SCHEMBL7515762 0.77 TP53 (0.41) KMT2AHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL12210186 0.72 HPGD (0.73) HPGDPOLBATMCSNK1DHTT
Bromide SCHEMBL20817485 0.71 HPGD (0.71) HPGDPOLBATMCSNK1DHTT
SCHEMBL7516002 0.70 P2RY14 (0.39) KMT2ARAB9A
SCHEMBL15680094 0.68 AOC3 (0.69) HPGDKLKB1KLK1ALDH1A1CYP1A2
SCHEMBL27582474 0.68 ALOX5 (0.50) KMT2AHPGDCSNK1DCYP1A2CYP2C19
SCHEMBL12235978 0.67 LIPG (0.85) HPGDPOLBATMLMNALIPG
SCHEMBL17287753 0.67 CSNK1D (1.00) KMT2APOLBCSNK1DHTTALDH1A1
SCHEMBL29838366 0.67 HPGD (0.63) KMT2AHPGDPOLBATMHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007518-A4 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC (US) 2002-11-06 EP disclosed
US-6177572-B1 2-AMIDOPHENOL OR 2-AMIDOTHIOPHENOL IS COUPLED TO A SOLID PHASE SUPPORT THROUGH A LINKER GROUP, SUCH THAT A BENZOXAZOLE OR A BENZOTHIAZOLE IS FORMED SEPRACOR, INC. 2001-01-23 US disclosed
EP-1007518-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR, INC. (US) 2000-06-14 EP disclosed
WO-1999009017-A1 SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE SEPRACOR INC. (US) 1999-02-25 WO disclosed