SCHEMBL1964265

SCHEMBL1964265

COn1nc(C(=O)O)c2c(F)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.41
RARG P13631 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGER1 P34995 1/20 0.37
DYRK3 O43781 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAPT P10636 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALB P02768 1/20 0.33

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
SCHEMBL28361133 0.80 ALDH1A1 (0.51) RORCRARGKMT2AMEN1ALDH1A1
SCHEMBL1969701 0.75 ELANE (0.49) RORCKMT2AMEN1ALDH1A1F2
SCHEMBL17423704 0.69 RORC (0.41) RORCRARGKMT2AMEN1ALDH1A1
SCHEMBL24273242 0.69 RORC (0.53) RORC
SCHEMBL16884641 0.68 RORC (0.53) RORC
SCHEMBL7307538 0.68 KDM4E (0.46) RORCKMT2AALDH1A1
SCHEMBL21324100 0.67 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTELANE
SCHEMBL16516519 0.66 MAP3K14 (0.44) RORCRARGPTGER1DYRK1A
SCHEMBL7297551 0.66 RORC (0.40) RORCKMT2AMEN1ALDH1A1
SCHEMBL21816286 0.66 MAPT (0.55) RORCKMT2AMEN1ALDH1A1DYRK1A

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
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed