SCHEMBL9654649

SCHEMBL9654649

CCCCCN(CCCCC)C1=CC(=O)C(Cl)=C(Cl)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.31
▸ MPEG1 Q2M385 7/20 0.31
▸ XIAP P98170 2/20 0.31
▸ GPR84 Q9NQS5 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KAT2B Q92831 1/20 0.31

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
SCHEMBL2880968 0.80 ACHE (0.37) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL21819284 0.78 ACHE (0.40) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL11666302 0.74 ELANE (0.36) ALOX5MPEG1MEN1MAPTHPGD
SCHEMBL9702272 0.72 VCAM1 (0.33) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL10489063 0.70 ACHE (0.49) ALOX5MPEG1GPR84MEN1ALDH1A1
SCHEMBL11015116 0.69 PTPN1 (0.53) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL21814514 0.65 HCAR3 (0.35) ALDH1A1TP53MAPTMAPK1TDP1
SCHEMBL11694396 0.63 PTPN1 (0.35) ALOX5KDM4EMEN1USP2ALDH1A1
SCHEMBL1459455 0.59 EGFR (0.44) ALDH1A1MAPK1TDP1CNR2
SCHEMBL2154654 0.59 DNM1 (0.42) GPR84KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355492-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 — — EP disclosed
US-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 — — US disclosed
EP-0271656-B1 REACTIVE AMINO ALKOXY-TRIPHENE DIOXAZINE DYES BAYER AG (DE) 1990-08-01 — — EP disclosed
EP-0355492-A1 Reactive dyes BAYER AG (DE) 1990-02-28 — — EP disclosed
EP-0271656-A1 Reactive amino alkoxy-triphene dioxazine dyes BAYER AG (DE) 1988-06-22 — — EP disclosed
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