SCHEMBL18724210

SCHEMBL18724210

CCC1CCCN1Cc1sc(NC)nc1-c1ccc(OC)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ CRHR1 P34998 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.37
▸ HTR2A P28223 3/20 0.36
▸ KMO O15229 1/20 0.36
▸ CTSS P25774 2/20 0.35
▸ ACHE P22303 4/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ MPL P40238 2/20 0.34
▸ CTSK P43235 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ PIK3CD O00329 1/20 0.34

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
SCHEMBL21005887 0.91 CRHR1 (0.38) CRHR1CTSSMPLCTSKS1PR1
SCHEMBL18724169 0.90 MAPT (0.39) CRHR1CRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL21301026 0.90 CRHR1 (0.40) MAPK1CRHR1ALDH1A1CRHBPCRHR2
SCHEMBL21301073 0.89 MAPK1 (0.43) MAPK1CRHR1ALDH1A1CRHBPCRHR2
SCHEMBL21301076 0.88 MAPT (0.43) CRHR1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL21300927 0.87 MAPK1 (0.44) MAPK1CRHR1ALDH1A1CRHBPCRHR2
SCHEMBL21301082 0.86 HTR2A (0.35) CRHR1HTR2AKMOCTSSACHE
SCHEMBL21301024 0.85 MAPK1 (0.46) MAPK1CRHR1ALDH1A1CRHBPCRHR2
SCHEMBL21301159 0.85 CRHR1 (0.50) CRHR1ALDH1A1HTR2AKMOACHE
SCHEMBL21301163 0.84 NOTUM (0.40) CRHR1ALDH1A1SMN1; SMN2MAPTMPL

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-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
EP-3153511-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2017-04-12 — — EP disclosed
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