SCHEMBL28680348

SCHEMBL28680348

O=C(O)c1c(-c2ccccc2)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3.[Co]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ DHODH Q02127 8/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TOP1 P11387 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIN1 Q13526 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYCS P99999 3/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ FABP3 P05413 1/20 0.34
▸ FABP4 P15090 1/20 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
SCHEMBL455575 0.99 STAT3 (0.49) STAT3STAT1DHODHLMNATOP1
SCHEMBL29727480 0.99 STAT3 (0.49) STAT3STAT1DHODHLMNATOP1
SCHEMBL31678979 0.97 STAT3 (0.48) STAT3STAT1DHODHLMNATOP1
SCHEMBL29763206 0.97 STAT3 (0.48) STAT3STAT1DHODHLMNATOP1
SCHEMBL28979122 0.97 STAT3 (0.48) STAT3STAT1DHODHLMNATOP1
SCHEMBL27845969 0.88 STAT3 (0.47) STAT3STAT1DHODH
SCHEMBL28835214 0.88 STAT3 (0.47) STAT3STAT1DHODHTOP1KDM4E
SCHEMBL6291664 0.87 STAT3 (0.46) STAT3STAT1DHODHTOP1KDM4E
SCHEMBL27968499 0.87 STAT3 (0.46) STAT3STAT1DHODH
SCHEMBL226837 0.84 STAT3 (0.59) STAT3STAT1DHODHLMNAKDM4E

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
CN-109599569-B Metal and nitrogen co-doped ultrathin carbon nanosheet catalyst and preparation method and application thereof 北京化工大学 2021-12-07 — — CN disclosed
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