SCHEMBL7320636

SCHEMBL7320636

O=C[C@@H]1CSCN1C(=O)CCC(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CXCR4 P61073 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NPY5R Q15761 1/20 0.38
MCHR1 Q99705 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
LSS P48449 1/20 0.37

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
SCHEMBL7319764 0.87 GAA (0.47)
SCHEMBL7316783 0.83 P2RX7 (0.43) HDAC1HDAC8MAPTSIGMAR1
SCHEMBL7366315 0.83 PDPK1 (0.40) HDAC1HDAC8CXCR4SIGMAR1
SCHEMBL7317320 0.83 KMT2A (0.45)
SCHEMBL7320276 0.83 HPGD (0.45)
SCHEMBL7321829 0.82 ALDH1A1 (0.47)
SCHEMBL7275293 0.82 LMNA (0.45) TPSAB1CXCR4TP53MAPTNPY5R
SCHEMBL7319189 0.80 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8
SCHEMBL7318507 0.80 NPC1 (0.40) CXCR4MCHR1SIGMAR1
SCHEMBL10585933 0.78 L3MBTL1 (0.49) HDAC3HDAC1HDAC2HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280956-B1 THIAZOLIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1992-10-21 EP claimed
US-4857537-A PREVENTING AMNESIA ONO PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US claimed
EP-0280956-A1 Thiazolidine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP claimed
US-4857537-A PREVENTING AMNESIA ONO PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed