SCHEMBL21786591

SCHEMBL21786591

Cc1cccc(-c2c(OCc3ccc(Cl)cc3)ccc(-c3cc(C(N)=O)[nH]n3)c2O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 8/20 0.40
HTT P42858 1/20 0.40
PTGER1 P34995 1/20 0.40
SCN9A Q15858 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ALPL P05186 2/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
GAA P10253 1/20 0.38
PLA2G10 O15496 1/20 0.37
TACR3 P29371 1/20 0.37
FFAR1 O14842 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
SCHEMBL22791325 0.87 PTGDR2 (0.44) MAPTPTGER1SCN9AALPLTACR3
SCHEMBL24127428 0.87 SCN9A (0.38) KMT2AMEN1MAPTPTGER1SCN9A
SCHEMBL22791324 0.87 SCN9A (0.38) KMT2AMEN1MAPTPTGER1SCN9A
SCHEMBL21786592 0.82 PTGER1 (0.39) KMT2ARAB9AMAPTPTGER1ALDH1A1
SCHEMBL24127176 0.80 ALPL (0.58) KMT2ANPC1RAB9AMAPTHTT
SCHEMBL22791089 0.79 MRGPRX4 (0.43) PTGER1
SCHEMBL21786464 0.75 ALPL (0.53) KMT2ANPC1RAB9AMAPTPTGER1
SCHEMBL21786532 0.75 ALPL (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL21786533 0.75 ALPL (0.43) ALPL
SCHEMBL22790944 0.74 SMPD1 (0.39) PTGER1NPSR1

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
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 WO disclosed