SCHEMBL9900846

SCHEMBL9900846

CCc1cc(OCOC)c(C2(C(=O)O)CC2)c(OCOC)c1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
EGFR P00533 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9901527 0.80 PTGS2 (0.34) PTPN1EGFRMEN1KMT2ATSHR
SCHEMBL14031906 0.71 TAAR1 (0.35) PTPN1EGFR
SCHEMBL20819649 0.70 PTPN1 (0.35) PTPN1EGFRMEN1KMT2ATSHR
SCHEMBL15306021 0.70 PTPN1 (0.41) PTPN1EGFRMEN1KMT2ATSHR
SCHEMBL17280419 0.70 PTPN1 (0.41) PTPN1EGFRMEN1KMT2ATSHR
SCHEMBL18202144 0.69 PTPN1 (0.43) PTPN1EGFRMEN1KMT2A
SCHEMBL20819535 0.69 PTGDR2 (0.37) EGFRMEN1KMT2ATSHR
SCHEMBL20819570 0.68 KMT2A (0.38) MEN1KMT2ATSHR
SCHEMBL9900845 0.68 PTPN1 (0.47) PTPN1
SCHEMBL31690574 0.68 PTPN1 (0.47) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947365-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF Bionomics Limited (AU) 2022-02-09 EP disclosed
WO-2020000065-A2 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2020-01-02 WO disclosed
EP-3555073-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS Autifony Therapeutics Limited (GB) 2019-10-23 EP disclosed
EP-3390394-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS Autifony Therapeutics Limited (GB) 2018-10-24 EP disclosed
WO-2018109484-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LIMITED (GB) 2018-06-21 WO disclosed
WO-2017103604-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LIMITED (GB) 2017-06-22 WO disclosed
EP-2788339-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2014-10-15 EP disclosed
EP-2649066-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2013-10-16 EP disclosed
WO-2013083994-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2013-06-13 WO disclosed
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed