SCHEMBL9468296

SCHEMBL9468296

CNc1ncc(CCC(=O)O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCD O00767 1/20 0.42
FDPS P14324 3/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CDK5 Q00535 2/20 0.42
MAPT P10636 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
FFAR1 O14842 1/20 0.40
PRNP P04156 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL6426949 0.83 LMNA (0.56) LMNANPC1RAB9ACYP1A2CYP3A4
SCHEMBL11568943 0.77 HCAR2 (0.48) ADRB2ADRB1ADRB3FFAR1
SCHEMBL10233485 0.77 SCD (0.44) SCDCCNE1CDK2CDK5SMN1; SMN2
SCHEMBL14887789 0.75 CCNE1 (0.44) LMNASCDFDPSCCNE1CDK2
SCHEMBL25212455 0.75 SMN1; SMN2 (0.46) LMNACYP1A2CYP2C9CYP2C19ADRB2
SCHEMBL19647495 0.75 LMNA (0.54) LMNANPC1RAB9ACYP1A2CYP3A4
SCHEMBL5835647 0.74 SMN1; SMN2 (0.49) MAPTADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL13094326 0.73 ADRB2 (0.43) ADRB2ADRB1ADRB3SMN1; SMN2FFAR1
SCHEMBL12868670 0.73 SLC6A3 (0.46) SCDADRB2ADRB1ADRB3FFAR1
SCHEMBL22619460 0.72 CDK2 (0.53) LMNANPC1RAB9ACYP1A2CYP3A4

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
US-5258396-A Thiazole derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-11-02 US disclosed
EP-0511021-A1 Novel thiazole derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-10-28 EP disclosed