SCHEMBL16856129

SCHEMBL16856129

N=C1C=CC=C/C1=C(/N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.41
▸ F10 P00742 1/20 0.41
▸ F12 P00748 1/20 0.41
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ BLM P54132 2/20 0.40
▸ PRSS1 P07477 4/20 0.39
▸ PRSS2 P07478 4/20 0.39
▸ PRSS3 P35030 4/20 0.39
▸ RECQL P46063 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ C1S P09871 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PMP22 Q01453 1/20 0.37

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
SCHEMBL19890586 0.79 PLAU (0.51) F2F12PKMPRSS1KMT2A
SCHEMBL21202986 0.72 GAA (0.31) TSHRTDP1GAA
SCHEMBL15500917 0.71 PI4KA (0.40) KMT2ATDP1MEN1GAAALDH1A1
SCHEMBL13985148 0.71 F2 (0.41) F2F10F12F7F3
SCHEMBL22144952 0.71 ALDH1A1 (0.33) KMT2AMAPTMEN1ALDH1A1
SCHEMBL22073252 0.68 AKT1 (0.32) F2F10F12F7F3
SCHEMBL19890588 0.67 PKM (0.36) F2F10F12F7F3
SCHEMBL15500942 0.66 P2RX7 (0.45) —
Benzamidine SCHEMBL650254 0.61 F2 (0.89) F2F10F12F7F3
Benzamidine SCHEMBL23067876 0.60 F2 (1.00) F2F10F12F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016404-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 宁波卢米蓝新材料有限公司 2023-02-16 — — WO disclosed
EP-3339293-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 — — EP disclosed
EP-3119767-B1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-07-10 — — EP disclosed
WO-2016024637-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC EQUIPMENT 出光興産株式会社 2016-02-18 — — WO disclosed
WO-2016006959-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-14 — — WO disclosed
WO-2015093814-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-06-25 — — WO disclosed
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