SCHEMBL10695797

SCHEMBL10695797

Cc1cn2c(=O)c3cccc(F)c3nc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
TP53 P04637 1/20 0.43
XPO1 O14980 1/20 0.40
PDE7A Q13946 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7B Q9NP56 1/20 0.40
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIA2 P42262 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
TRPV4 Q9HBA0 5/20 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
SCHEMBL9770658 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDTP53HRH3
SCHEMBL10693610 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL9770496 0.74 CYP1A2 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2TRPV4
SCHEMBL10696506 0.72 ALDH1A1 (0.62) KDM4EALDH1A1HPGDPDE7APDE4A
SCHEMBL9770688 0.71 ADORA2A (0.39) ALDH1A1HPGDTP53MAPTSMN1; SMN2
SCHEMBL10695492 0.70 PARP1 (0.39) KDM4EALDH1A1HPGDPDE7APDE4A
SCHEMBL15840330 0.70 HRH3 (0.47) KDM4EXPO1PDE7APDE4APDE4B
SCHEMBL10696499 0.69 PDE7A (0.39) KDM4EALDH1A1HPGDTP53XPO1
SCHEMBL9770718 0.69 KDM4E (0.45) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL9770716 0.67 PARP1 (0.44) KDM4EALDH1A1HPGDTP53HRH3

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