SCHEMBL27388014

SCHEMBL27388014

Cc1cccc(-c2cccc3sc4ccccc4c23)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
BRDT Q58F21 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PABPC1 P11940 1/20 0.37
SLC9A1 P19634 1/20 0.36
DUSP3 P51452 1/20 0.36
BLM P54132 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
MCL1 Q07820 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL26073646 0.91 GPR3 (0.48) GPR3IDO1TDO2MAPTALDH1A1
SCHEMBL19001870 0.89 GPR3 (0.46) GPR3IDO1TDO2MAPTALDH1A1
SCHEMBL21742520 0.88 GPR3 (0.45) GPR3IDO1TDO2MAPTALDH1A1
SCHEMBL16553298 0.85 GPR3 (0.59) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL30550557 0.85 GPR3 (0.59) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL21742607 0.83 PDCD1 (0.45) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL2542231 0.83 GPR3 (0.56) GPR3IDO1TDO2MAPTALDH1A1
SCHEMBL16670320 0.83 GPR3 (0.56) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL23989062 0.83 MAPT (0.47) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL21742867 0.81 GPR3 (0.42) GPR3IDO1TDO2MAPTALDH1A1

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-2024126322-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-06-20 WO disclosed