SCHEMBL21301026

SCHEMBL21301026

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.40
▸ CTSS P25774 11/20 0.38
▸ SPHK2 Q9NRA0 2/20 0.37
▸ MPL P40238 2/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ SMN1; SMN2 Q16637 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 0.93 CRHR1 (0.38) CRHR1CTSSSPHK2MPLS1PR4
SCHEMBL18724210 0.90 MAPK1 (0.42) CRHR1CTSSMPLS1PR1MAPK1
SCHEMBL21006251 0.85 PDE3B (0.40) CTSSSPHK2MPLS1PR4S1PR1
SCHEMBL18724292 0.83 CTSS (0.39) CRHR1CTSSMPLS1PR1CTSK
SCHEMBL21301073 0.81 MAPK1 (0.43) CRHR1S1PR1MAPK1ALDH1A1CRHBP
SCHEMBL19123486 0.81 SPHK2 (0.40) CTSSSPHK2MPLS1PR4S1PR1
SCHEMBL17400488 0.81 MPL (0.49) MPLS1PR1
SCHEMBL18724169 0.81 MAPT (0.39) CRHR1CTSSS1PR1CRHBPCRHR2
SCHEMBL21301163 0.80 NOTUM (0.40) CRHR1MPLS1PR1ALDH1A1SMN1; SMN2
SCHEMBL17400684 0.80 MPL (0.42) CRHR1MPL

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-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
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