SCHEMBL3134046

SCHEMBL3134046

Cc1ccc(Cc2nsc(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1.Cc1ccc(Cc2nsc(N3CCN(C(=O)c4ccc5c(c4)OCO5)C(C)C3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
GHSR Q92847 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CNR1 P21554 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
STAT3 P40763 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2004976 0.93 SCD5 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL3055422 0.92 KMT2A (0.47) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2012053 0.87 TACR3 (0.47) CNR1
SCHEMBL2005920 0.87 TACR3 (0.47) CNR1
SCHEMBL2004776 0.84 ALDH1A1 (0.54) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2010870 0.84 TACR3 (0.48) GHSR
SCHEMBL12569344 0.83 CNR1 (0.46) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL4689255 0.82 TSHR (0.42) ALDH1A1SMN1; SMN2MAPTHTTGHSR
SCHEMBL2007046 0.82 CNR1 (0.53) KMT2ASMN1; SMN2HTTKDM4ECNR1
SCHEMBL2009579 0.82 CNR1 (0.53) KMT2ASMN1; SMN2HTTKDM4ECNR1

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-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP claimed