SCHEMBL24679668

SCHEMBL24679668

C=C/C(=C\C=C(/C)c1ccccc1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.42
▸ DEGS1 O15121 2/20 0.41
▸ PTPN11 Q06124 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL21137423 0.83 MGLL (0.44) KDM4EMEN1KMT2APOLBNPC1
SCHEMBL22182138 0.81 PTPN1 (0.47) PTPN1DEGS1PTPN11ALDH1A1MAPT
SCHEMBL19546741 0.79 PTPN1 (0.47) PTPN1DEGS1PTPN11ALDH1A1MAPT
SCHEMBL14402892 0.76 TGM2 (0.48) ALDH1A1MAPTKDM4ETAAR1HPGD
SCHEMBL23126870 0.74 CASP3 (0.44) PTPN1PTPN11ALDH1A1MAPTKDM4E
SCHEMBL25034351 0.73 PTPN1 (0.42) PTPN1DEGS1PTPN11ALDH1A1MAPT
SCHEMBL16500855 0.73 MAPT (0.38) PTPN1PTPN11ALDH1A1MAPTKDM4E
SCHEMBL16500830 0.71 ALDH1A1 (0.40) PTPN1DEGS1PTPN11ALDH1A1MAPT
SCHEMBL23458237 0.71 KDM1A (0.48) DEGS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11206059 0.71 KDM1A (0.48) DEGS1ALDH1A1MAPTMEN1KMT2A

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-4092011-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd. (JP) 2022-11-23 — — EP disclosed
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