SCHEMBL9770658

SCHEMBL9770658

Cc1cn2c(=O)c3c(F)cccc3nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PARP1 P09874 1/20 0.44
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 2/20 0.38
GRIA2 P42262 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
GAA P10253 1/20 0.35

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) KDM4EALDH1A1HPGDPARP1TP53
SCHEMBL9770716 0.83 PARP1 (0.44) KDM4EALDH1A1HPGDPARP1TP53
SCHEMBL10694401 0.81 ELANE (0.47) KDM4EALDH1A1HPGDTP53PKM
SCHEMBL10695797 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDTP53HRH3
SCHEMBL10693610 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDTP53PKM
SCHEMBL10695051 0.75 TP53 (0.46) KDM4EALDH1A1HPGDPARP1TP53
SCHEMBL9770762 0.74 CYP1A2 (0.43) KDM4EALDH1A1HPGDPARP1PKM
SCHEMBL10668697 0.72 ALDH1A1 (0.62) KDM4EALDH1A1HPGDPARP1PKM
SCHEMBL9536653 0.72 ELANE (0.40) PARP1TP53MAPTSMN1; SMN2PTGS2
SCHEMBL10695218 0.72 ELANE (0.40) PARP1TP53MAPTSMN1; SMN2

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