SCHEMBL8599215

SCHEMBL8599215

COC(=O)C(C)Sc1cc(N)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 5/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
GAA P10253 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MPO P05164 1/20 0.32
PSEN1 P49768 1/20 0.32

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
SCHEMBL8599849 0.88 LMNA (0.33) HPGDMAPTLMNASMN1; SMN2
SCHEMBL8603149 0.86 MAPT (0.41) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8603214 0.85 LMNA (0.38) ALDH1A1LMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL8599272 0.85 APP (0.39) HPGDMAPTLMNASMN1; SMN2CA12
SCHEMBL4682474 0.84 ALDH1A1 (0.36) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8604182 0.83 PPOX (0.32) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8350503 0.82 ESR1 (0.39) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8601390 0.81 CYP19A1 (0.36) HPGDMAPTLMNASMN1; SMN2GAA
SCHEMBL8603053 0.81 MAPT (0.37) ALDH1A1MAPTLMNAKDM4EHSD17B10
SCHEMBL9040591 0.80 DHODH (0.39) ALDH1A1HPGDMAPTLMNASMN1; 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
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed