SCHEMBL31196102

SCHEMBL31196102

c1ccc2c(c1)oc1c(Nc3cccc4c3sc3ccccc34)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 2/20 0.36
GPR3 P46089 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX5 P09917 4/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CD O00329 2/20 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
SCHEMBL20312827 1.00 PARP14 (0.40) PARP14ALDH1A1LMNASMN1; SMN2ESR2
SCHEMBL25636280 0.85 PARP14 (0.34) PARP14ALDH1A1LMNASMN1; SMN2ESR2
SCHEMBL25636198 0.83 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2ESR2GPR3
SCHEMBL15138725 0.83 GPR3 (0.52) PARP14ALDH1A1SMN1; SMN2GPR3MEN1
SCHEMBL4090324 0.83 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MEN1POLB
SCHEMBL20312824 0.82 PTGIR (0.44) ALDH1A1LMNASMN1; SMN2ESR2GPR3
SCHEMBL18201527 0.81 ALOX5 (0.45) PARP14ALDH1A1ESR2POLBKMT2A
SCHEMBL24834378 0.81 ALOX5 (0.46) PARP14ESR2ALOX5MAPTPIK3CD
SCHEMBL24472407 0.80 CDC14B (0.40) PARP14ALDH1A1LMNAESR2MEN1
SCHEMBL19419237 0.80 ESR2 (0.46) ALDH1A1SMN1; SMN2ESR2GPR3MEN1

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
CN-112437770-B Organic light-emitting compound and organic electroluminescent element using same 索路思高新材料有限公司 2024-12-17 CN disclosed