SCHEMBL10696981

SCHEMBL10696981

O=c1c2c(F)cccc2nc2sc(Cl)c(Cl)n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
RAB9A P51151 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ELANE P08246 1/20 0.36
PTGS2 P35354 1/20 0.36
TRPV4 Q9HBA0 1/20 0.34
AKR1B1 P15121 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9533229 0.86 PARP1 (0.40) PARP1RAB9AHPGDSMN1; SMN2HSD17B10
SCHEMBL9533044 0.83 ELANE (0.40) PARP1RAB9AHPGDSMN1; SMN2HSD17B10
SCHEMBL9533428 0.80 ELANE (0.43) RAB9AHPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL10696499 0.78 PDE7A (0.39) PARP1RAB9AHPGDSMN1; SMN2HSD17B10
SCHEMBL10695051 0.78 TP53 (0.46) PARP1RAB9AHPGDSMN1; SMN2HSD17B10
SCHEMBL10668697 0.72 ALDH1A1 (0.62) PARP1RAB9AHPGDSMN1; SMN2HSD17B10
SCHEMBL9535817 0.72 PARP1 (0.44) PARP1RAB9AHPGDSMN1; SMN2HSD17B10
Bromide SCHEMBL11085283 0.71 ALDH1A1 (0.60) PARP1RAB9AHPGDSMN1; SMN2HSD17B10
SCHEMBL9770658 0.69 KDM4E (0.46) PARP1HPGDSMN1; SMN2KDM4ETP53
SCHEMBL9536458 0.69 NPC1 (0.45) PARP1RAB9AHPGDSMN1; SMN2HSD17B10

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