SCHEMBL7366401

SCHEMBL7366401

O=C[C@@H]1CSNC1C(=O)CCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL7370572 0.95 MAPT (0.46) HDAC1HDAC2MAPTRXFP1ALOX5
SCHEMBL7372051 0.93 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7376615 0.84 EPHX2 (0.39) EPHX2
SCHEMBL10585926 0.83 L3MBTL1 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7374066 0.82 S1PR3 (0.40) SMN1; SMN2NPC1RAB9ATDP1MAPT
SCHEMBL7323963 0.81 GAA (0.46) NPC1RAB9AEPHX2TSHRHPGD
SCHEMBL7372921 0.79 SMN1; SMN2 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7374941 0.79 PREP (0.41) MAPK1SMN1; SMN2SLC6A3NPC1RAB9A
SCHEMBL7375337 0.78 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7372636 0.78 DPP4 (0.36) SMN1; SMN2NPC1TDP1EPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461677-B1 Novel thiazolidine derivatives ONO PHARMACEUTICAL CO (JP) 1997-04-16 EP claimed
EP-0461677-A1 Novel thiazolidine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 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
EP-0799224-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed