SCHEMBL25028067

SCHEMBL25028067

CCCCCCN1c2ccc(-c3ccco3)cc2Sc2cc(-c3ccco3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.38
▸ CNR2 P34972 5/20 0.38
▸ CNR1 P21554 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDF Q9HBH1 1/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ PDE3A Q14432 2/20 0.35

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
SCHEMBL25028071 0.80 NOX1 (0.44) L3MBTL1PSMD14ADRA2AADRA2BADRA2C
SCHEMBL23954276 0.78 SRD5A1 (0.32) CNR2CNR1
SCHEMBL23954268 0.76 KDM4E (0.42) KDM1ACNR2CNR1ALDH1A1KDM4E
SCHEMBL25026631 0.74 ICMT (0.47) CNR2CNR1CYP1A2CYP2D6DRD2
SCHEMBL13212478 0.74 DRD3 (0.47) KDM1AALDH1A1KDM4EPDFPIM1
SCHEMBL15237164 0.74 DRD3 (0.47) KDM1AALDH1A1KDM4EPDFPIM1
SCHEMBL13212476 0.74 DRD3 (0.47) KDM1AALDH1A1KDM4EPDFPIM1
SCHEMBL801271 0.73 DRD2 (0.49) KDM1ACNR1ALDH1A1KDM4EPDF
SCHEMBL20288065 0.73 DRD2 (0.49) KDM1ACNR1ALDH1A1KDM4EPDF
SCHEMBL8739350 0.73 DRD2 (0.49) KDM1ACNR1ALDH1A1KDM4EPDF

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
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 — — US disclosed
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