SCHEMBL375783

SCHEMBL375783

Cc1cc(Br)ccc1CF

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 4/20 0.47
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 5/20 0.35
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
P2RX7 Q99572 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21573669 0.82 PYCR1 (0.36) PYCR1CA1CA2ALDH1A1MAPK1
SCHEMBL307129 0.79 PYCR1 (0.49) PYCR1CA1CA2ALDH1A1MAPK1
SCHEMBL30169578 0.79 PYCR1 (0.49) PYCR1CA1CA2ALDH1A1MAPK1
SCHEMBL12164465 0.79 PYCR1 (0.49) PYCR1CA1CA2ALDH1A1MAPK1
SCHEMBL29676673 0.79 PYCR1 (0.49) PYCR1CA1CA2ALDH1A1MAPK1
SCHEMBL29418547 0.77 PYCR1 (0.47) PYCR1CA1CA2ALDH1A1MAPK1
SCHEMBL30352488 0.77 PYCR1 (0.47) PYCR1ALDH1A1MAPK1MAPTKDM5A
SCHEMBL607749 0.77 PYCR1 (0.47) PYCR1CA1CA2ALDH1A1MAPK1
SCHEMBL8587112 0.77 PYCR1 (0.47) PYCR1CA1CA2ALDH1A1MAPK1
SCHEMBL12053 0.77 PYCR1 (0.47) PYCR1CA1CA2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022240830-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES (US) 2022-11-17 WO disclosed
EP-1810972-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-25 EP disclosed