SCHEMBL21300927

SCHEMBL21300927

CCC1CCCN1Cc1sc(NC)nc1-c1ccc(OC)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CRHR1 P34998 1/20 0.41
▸ ENPP2 Q13822 2/20 0.38
▸ KMO O15229 1/20 0.37
▸ SAE1 Q9UBE0 1/20 0.37
▸ DRD2 P14416 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 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
SCHEMBL18724210 0.87 MAPK1 (0.42) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL21301073 0.86 MAPK1 (0.43) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL21301038 0.84 CRHR1 (0.42) MAPK1CRHR1DRD2KMT2AMEN1
SCHEMBL21301054 0.80 CRHR1 (0.39) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL21005887 0.79 CRHR1 (0.38) CRHR1
SCHEMBL21301026 0.79 CRHR1 (0.40) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL17400635 0.78 MPL (0.45) —
SCHEMBL18724252 0.77 MEN1 (0.47) ALDH1A1CRHR1KMT2AMEN1
SCHEMBL21005959 0.77 MEN1 (0.47) ALDH1A1CRHR1KMT2AMEN1
SCHEMBL21007325 0.77 CRHR1 (0.39) ALDH1A1CRHBPCRHR2SMN1; SMN2CRHR1

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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