SCHEMBL25587992

SCHEMBL25587992

CCc1cc2cc(Cl)ccc2nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.48
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PSMB5 P28074 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL12000236 0.84 MAPT (0.58) GRM1KMT2ARXFP1MAPTNPSR1
SCHEMBL667729 0.82 GRM1 (0.46) GRM1KMT2ARXFP1PSMB5MAPT
SCHEMBL21550243 0.81 KMT2A (0.44) KMT2ARXFP1PDE3BPDE3AMAPT
SCHEMBL12000237 0.80 ALDH1A1 (0.59) GRM1KMT2ARXFP1PDE3BPDE3A
SCHEMBL8735682 0.79 KMT2A (0.70) GRM1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL15358899 0.79 KMT2A (0.42) KMT2ARXFP1PDE3BPDE3AMAPT
SCHEMBL6365630 0.77 KDM4E (0.45) GRM1KMT2ARXFP1MAPTALDH1A1
SCHEMBL13227193 0.76 MAPT (0.51) KMT2ARXFP1MAPTNPSR1KDM4E
SCHEMBL13136437 0.76 MAPT (0.51) GRM1KMT2ARXFP1PSMB5MAPT
SCHEMBL8352244 0.76 CYP1A2 (0.56) GRM1KMT2APDE3BPDE3AMAPT

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-3733662-B1 PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2023-06-07 EP disclosed