SCHEMBL26071083

SCHEMBL26071083

Cc1ncsc1COc1cccc(-c2nn[nH]c2N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
NOTUM Q6P988 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
HIF1A Q16665 1/20 0.34
IGF1R P08069 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PRKDC P78527 2/20 0.34
TSHR P16473 4/20 0.33
NMT1 P30419 1/20 0.33
POLB P06746 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
SCHEMBL18006437 0.85 CHEK1 (0.39) SLC22A12CYP4F2CYP4A11KDM4EMAPT
SCHEMBL26071018 0.83 NOTUM (0.38) SLC22A12NOTUMKDM4ESMN1; SMN2MAPT
SCHEMBL26071043 0.79 CHEK1 (0.43) SLC22A12NOTUMSMN1; SMN2MAPTIGF1R
SCHEMBL26070911 0.78 CYP2C9 (0.47) TSHRMEN1KMT2A
SCHEMBL26071075 0.77 CYSLTR2 (0.36) SLC22A12NOTUMKDM4ESMN1; SMN2MAPT
SCHEMBL26071012 0.77 HSD17B10 (0.38) SLC22A12NOTUMKDM4EMAPTALDH1A1
SCHEMBL26071092 0.76 IGF1R (0.39) SLC22A12NOTUMKDM4EMAPTALDH1A1
SCHEMBL26071016 0.76 SLC22A12 (0.38) SLC22A12NOTUMKDM4ESMN1; SMN2MAPT
SCHEMBL26070898 0.75 BTK (0.49) SLC22A12NOTUMKDM4ESMN1; SMN2MAPT
SCHEMBL26071014 0.75 FFAR1 (0.38) SLC22A12NOTUMKDM4EMAPTALDH1A1

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed