SCHEMBL10696645

SCHEMBL10696645

COC(=O)Oc1cn2c(=O)c3cc(OC)ccc3nc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.53
ATAD2 Q6PL18 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
DYRK1A Q13627 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
AKR1B1 P15121 4/20 0.41
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL11249330 0.91 ALPG (0.55) ALPGATAD2NPC1RAB9APOLB
SCHEMBL10696742 0.84 MMP13 (0.38) ALPGNPC1RAB9AAKR1B1MAPT
SCHEMBL9770670 0.81 ALPG (0.55) ALPGNPC1RAB9ADYRK1ASMN1; SMN2
SCHEMBL11014615 0.81 ALPG (0.60) ALPGRAB9APOLBKDM4EHSD17B10
SCHEMBL11397996 0.74 AKR1B1 (0.37) ALPGNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11391279 0.72 ALPG (0.35) ALPG
SCHEMBL28345154 0.72 ALPG (0.54) ALPGNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL11208277 0.71 ALPG (0.74) ALPGSMN1; SMN2CYP1A2POLBKDM4E
SCHEMBL10696374 0.71 KDM4E (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL11263888 0.70 ALPG (0.82) ALPGSMN1; SMN2CYP1A2KDM4EHSD17B10

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-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed