SCHEMBL8874663

SCHEMBL8874663

Cc1nc(C)c(C(=O)O)c(C(=O)O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.52
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 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
SCHEMBL31633610 1.00 PDE10A (0.52) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL16806284 0.85 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL72281 0.84 PDE10A (0.45) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL29798822 0.81 KMT2A (0.46) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL15316166 0.81 PDE10A (0.44) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL15316165 0.81 PDE10A (0.48) PDE10AALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL26967850 0.77 P2RX3 (0.41) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL29774210 0.76 MEN1 (0.39) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL28050224 0.75 LDHA (0.43) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL31544276 0.75 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A

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
US-5621027-A Dyestuffs for bulk dyeing plastics BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
EP-0683212-A1 New dyes for the bulk dyeing of synthetic materials BAYER AG (DE) 1995-11-22 EP disclosed