SCHEMBL5316660

SCHEMBL5316660

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.49
MAPT P10636 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CNR2 P34972 1/20 0.45
CHRM4 P08173 3/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5185106 0.88 METAP1 (0.48) METAP1MAPTCYP2C9CYP2C19GAA
SCHEMBL17844177 0.84 JAK2 (0.46) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL17844162 0.82 HRH3 (0.41) MAPTCHRM4KDM4EALDH1A1CHRM1
SCHEMBL5260026 0.79 GPR119 (0.38) CNR2
SCHEMBL5185355 0.79 CNR2 (0.42) METAP1MAPTCYP2C9CYP2C19GAA
SCHEMBL17844250 0.79 KAT2B (0.41) MAPTLMNAKDM4EALDH1A1
SCHEMBL17844240 0.77 CHRM4 (0.39) CHRM4
SCHEMBL1995171 0.77 METAP1 (0.49) METAP1MAPTCYP2C9CYP2C19GAA
SCHEMBL17844219 0.76 CKS1B (0.38)
SCHEMBL3546550 0.76 LMNA (0.42) LMNASMN1; SMN2KDM4EALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed