SCHEMBL9764318

SCHEMBL9764318

Clc1ccccc1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.58
▸ STAT1 P42224 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ PTGES O14684 3/20 0.34

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
SCHEMBL6744593 0.90 STAT3 (0.55) STAT3STAT1KDM4EALDH1A1NPC1
SCHEMBL2849607 0.84 STAT3 (0.58) STAT3STAT1KDM4EALDH1A1NPC1
SCHEMBL27579991 0.84 STAT3 (0.58) STAT3STAT1ALDH1A1NPC1RAB9A
SCHEMBL6892151 0.84 STAT3 (0.58) STAT3STAT1KDM4EALDH1A1NPC1
SCHEMBL10482856 0.84 STAT3 (0.58) STAT3STAT1ALDH1A1NPC1RAB9A
SCHEMBL7269032 0.84 STAT3 (0.58) STAT3STAT1
SCHEMBL9985109 0.84 STAT3 (0.48) STAT3STAT1GUSB
SCHEMBL7268040 0.84 STAT3 (0.54) STAT3STAT1
SCHEMBL11328879 0.83 STAT3 (0.56) STAT3STAT1KDM4EGAAMAPK13
SCHEMBL17112278 0.82 STAT3 (0.55) STAT3STAT1GUSB

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
US-5018380-A Organometallic gas carrier in interpenetrating polymer network ALLIED-SIGNAL INC. (US) 1991-05-28 — — US disclosed
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