SCHEMBL9770716

SCHEMBL9770716

Cc1cn2c(=O)c3c(Cl)cccc3nc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.40
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 2/20 0.39
ELANE P08246 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PBRM1 Q86U86 2/20 0.38
PTGS2 P35354 2/20 0.38
TSHR P16473 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL9770718 0.86 KDM4E (0.45) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL9533212 0.86 PARP1 (0.40) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL9770643 0.83 ELANE (0.39) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL9770658 0.83 KDM4E (0.46) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL10696348 0.83 PDE10A (0.43) PARP1MAPTPOLBRXFP1ELANE
SCHEMBL10694401 0.81 ELANE (0.47) KDM4EALDH1A1HPGDMAPTPKM
SCHEMBL9536653 0.78 ELANE (0.40) PARP1MAPTTP53ELANESMN1; SMN2
SCHEMBL10693610 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTPKM
SCHEMBL9535817 0.75 PARP1 (0.44) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL10696099 0.75 PARP1 (0.44) PARP1KDM4EALDH1A1HPGDMAPT

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
US-5030727-A Reacting an anthronilide derivative with a thiazole derivative or a fluorozuinazolone with a neucleophile BASF AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed