SCHEMBL3364187

SCHEMBL3364187

CC/N=C1/S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 1.00
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ MAPT P10636 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MITF O75030 1/20 0.57
▸ CA9 Q16790 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ DYRK2 Q92630 3/20 0.53
▸ PIM1 P11309 2/20 0.53
▸ CDK5 Q00535 2/20 0.53
▸ CDK5R1 Q15078 2/20 0.53
▸ DYRK3 O43781 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.52
▸ CSNK2B P67870 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ CSNK2A3 Q8NEV1 1/20 0.52
▸ DYRK1B Q9Y463 1/20 0.52

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
SCHEMBL3364192 1.00 CFTR (1.00) CFTRKMT2AMEN1MAPTALDH1A1
SCHEMBL7852521 0.83 MAPK1 (0.76) CFTRKMT2AMEN1MAPTALDH1A1
SCHEMBL16130239 0.81 CFTR (0.68) CFTRS1PR4S1PR1S1PR5
SCHEMBL12912717 0.80 CFTR (0.66) CFTRKMT2AMEN1MAPTALDH1A1
SCHEMBL15828869 0.79 KMT2A (0.79) CFTRKMT2AMEN1MAPTALDH1A1
SCHEMBL27618822 0.77 MEN1 (0.67) CFTRKMT2AMEN1MAPTALDH1A1
SCHEMBL16130330 0.76 S1PR1 (0.65) CFTRKMT2AMEN1MAPTALDH1A1
SCHEMBL16130327 0.75 S1PR1 (0.66) CFTRCA9DYRK2PIM1CDK5
SCHEMBL16130333 0.75 S1PR1 (0.61) CFTRS1PR4S1PR1S1PR5
SCHEMBL17309314 0.75 ALDH1A1 (0.61) CFTRKMT2AMEN1MAPTALDH1A1

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-1689726-B1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 — — EP disclosed
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