SCHEMBL9510041

SCHEMBL9510041

CCNc1n[nH]c(=S)n1CC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.51
CYP1A2 P05177 3/20 0.51
KDM4E B2RXH2 5/20 0.50
APOBEC3G Q9HC16 4/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 7/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 3/20 0.42
GFER P55789 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL12847415 0.69 APOBEC3G (0.71) TDP1CYP1A2KDM4EAPOBEC3GGAA
SCHEMBL1543721 0.67 KDM4E (0.67) TDP1CYP1A2KDM4EAPOBEC3GGAA
SCHEMBL8888876 0.65 KDM4E (0.50) TDP1CYP1A2KDM4EAPOBEC3GGAA
SCHEMBL8527189 0.65 KDM4E (0.50) TDP1CYP1A2KDM4EAPOBEC3GGAA
SCHEMBL6621860 0.65 KDM4E (0.50) TDP1CYP1A2KDM4EAPOBEC3GGAA
SCHEMBL1544262 0.64 KDM4E (0.62) TDP1CYP1A2KDM4EAPOBEC3GGAA
SCHEMBL1544148 0.63 APOBEC3G (0.61) TDP1CYP1A2KDM4EAPOBEC3GGAA
SCHEMBL9511179 0.63 SMN1; SMN2 (0.38) CYP1A2KDM4EGAAALDH1A1MAPT
SCHEMBL9488720 0.62 KDM4E (0.51) TDP1KDM4EAPOBEC3GGAAALDH1A1
SCHEMBL8978645 0.62 KDM4E (0.71) TDP1CYP1A2KDM4EAPOBEC3GGAA

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-0398096-B1 SUBSTITUTED TRIAZOLONES BAYER AG (DE) 1993-10-13 EP claimed