SCHEMBL19546741

SCHEMBL19546741

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ TGM2 P21980 2/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ DEGS1 O15121 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL18392866 0.88 TGM2 (0.55) ALDH1A1MAPTKDM4ETAAR1TGM2
SCHEMBL24679668 0.79 PTPN1 (0.42) PTPN1PTPN11ALDH1A1MAPTKDM4E
SCHEMBL24946415 0.78 ALDH1A1 (0.44) PTPN1PTPN11ALDH1A1MAPTKDM4E
SCHEMBL23126870 0.76 CASP3 (0.44) PTPN1PTPN11ALDH1A1MAPTKDM4E
SCHEMBL1383664 0.76 TGM2 (0.78) PTPN1PTPN11ALDH1A1MAPTKDM4E
SCHEMBL27335845 0.74 ALDH1A1 (0.50) PTPN1PTPN11ALDH1A1MAPTKDM4E
SCHEMBL20865678 0.74 MAPT (0.47) PTPN1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL16500830 0.74 ALDH1A1 (0.40) PTPN1PTPN11ALDH1A1MAPTKDM4E
SCHEMBL25516100 0.73 MDM2 (0.47) KDM4ETAAR1RAB9ASMN1; SMN2HTT
SCHEMBL20008068 0.73 TGM2 (0.47) ALDH1A1MAPTKDM4ETAAR1TGM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017200320-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2017-11-23 — — WO disclosed
WO-2017191976-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-11-09 — — WO disclosed
WO-2017188655-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRONIC ELEMENT 덕산네오룩스 주식회사 2017-11-02 — — WO disclosed
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