SCHEMBL4246813

SCHEMBL4246813

N=C1NC(=O)C(=Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.53
POLB P06746 3/20 0.49
HDAC4 P56524 7/20 0.48
HDAC8 Q9BY41 3/20 0.48
PTPN1 P18031 3/20 0.47
HPGD P15428 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MRE11 P49959 1/20 0.46
PPARG P37231 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PIM1 P11309 1/20 0.46
RAB9A P51151 1/20 0.46
IGF1R P08069 1/20 0.46
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL4246812 1.00 XDH (0.53) XDHPOLBHDAC4HDAC8PTPN1
SCHEMBL8876327 0.91 HDAC4 (0.58) POLBHDAC4HDAC8PTPN1HPGD
SCHEMBL8876321 0.91 HDAC4 (0.58) POLBHDAC4HDAC8PTPN1HPGD
SCHEMBL16131327 0.78 KMT2A (0.55) XDHPOLBPTPN1HPGDMEN1
SCHEMBL8876624 0.75 HPGD (0.81) POLBHDAC4HDAC8PTPN1HPGD
SCHEMBL8876632 0.75 HPGD (0.81) POLBHDAC4HDAC8PTPN1HPGD
SCHEMBL31556124 0.75 PTPN1 (0.56) PTPN1MAOBRAB9APARP15PARP10
SCHEMBL4244280 0.75 PTPN1 (0.56) PTPN1MAOBRAB9APARP15PARP10
SCHEMBL15422022 0.74 HPGD (0.81) XDHPOLBPTPN1HPGDMAOA
SCHEMBL15422023 0.74 HPGD (0.81) XDHPOLBPTPN1HPGDMAOA

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
JP-2009234930-A 2-IMINO-4-THIAZOLIDINONE DERIVATIVE AND METHOD FOR PRODUCING 2,4-THIAZOLIDINEDIONE DERIVATIVE OHARA YAKUHIN KOGYO KK 2009-10-15 JP disclosed