SCHEMBL29910098

SCHEMBL29910098

CCCCCCCCCCCc1c2nc(c(CCCCCCCCCCC)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ KCNH2 Q12809 1/20 0.33
▸ GPR84 Q9NQS5 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32

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
SCHEMBL4944703 0.99 STAT3 (0.40) STAT3STAT1KCNH2GPR84KDM4E
SCHEMBL3720959 0.96 STAT3 (0.37) STAT3STAT1KCNH2GPR84KDM4E
SCHEMBL7647119 0.96 STAT3 (0.41) STAT3STAT1KCNH2GPR84KDM4E
SCHEMBL6003904 0.96 STAT3 (0.41) STAT3STAT1KCNH2GPR84KDM4E
SCHEMBL15510967 0.96 STAT3 (0.41) STAT3STAT1KCNH2GPR84KDM4E
SCHEMBL3522373 0.96 STAT3 (0.41) STAT3STAT1KCNH2GPR84KDM4E
SCHEMBL3520094 0.96 STAT3 (0.41) STAT3STAT1KCNH2GPR84KDM4E
SCHEMBL17419215 0.96 STAT3 (0.43) STAT3STAT1KCNH2GPR84KDM4E
Hydrochloric Acid SCHEMBL27872840 0.95 STAT3 (0.40) STAT3STAT1KCNH2GPR84KDM4E
SCHEMBL5133634 0.95 STAT3 (0.42) STAT3STAT1KCNH2GPR84KDM4E

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-3459955-B1 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT BIOLITEC UNTERNEHMENSBERATUNGS II AG (AT) 2022-11-02 — — EP disclosed
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