SCHEMBL9512683

SCHEMBL9512683

O=C1SCCN1Cc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
CYP2A13 Q16696 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
P2RX7 Q99572 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL4182979 0.80 MAPK1 (0.57) CYP2D6CYP2C19TP53MAPTSMN1; SMN2
SCHEMBL9742351 0.77 KMT2A (0.50) CYP3A4CYP2D6CYP2C19KCNH2ALDH1A1
SCHEMBL9514131 0.76 ALDH1A1 (0.60) HTTP2RX7DRD3KCNH2MAPT
SCHEMBL9329794 0.76 HTT (0.56) HTTCYP2A13CYP1A2CYP3A4CYP2D6
SCHEMBL5542558 0.71 CYP1A2 (0.52) HTTCYP2A13CYP1A2CYP3A4CYP2D6
SCHEMBL4523295 0.71 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6CYP2C19P2RX7
SCHEMBL28958322 0.70 ALDH1A1 (0.50) HTTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL9511632 0.70 HTT (0.59) HTTTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL4103976 0.69 CYP2A13 (1.00) HTTCYP2A13MAPTSMN1; SMN2SIGMAR1
SCHEMBL11360607 0.69 SIGMAR1 (0.85) HTTCYP2A13KCNH2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320910-B1 2-Thiazolidinone derivatives, pharmaceutical compositions containing them, process for preparing same, and use RICHTER GEDEON VEGYESZET (HU) 1993-12-08 EP disclosed
US-4937252-A 2-thiazolidinone derivatives, pharmaceutical compositions containing them and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1990-06-26 US disclosed
EP-0320910-A1 2-Thiazolidinone derivatives, pharmaceutical compositions containing them, process for preparing same, and use RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1989-06-21 EP disclosed