SCHEMBL28263450

SCHEMBL28263450

O=C(O)c1cccc(C(=O)Oc2nc[nH]n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ KDM6B O15054 2/20 0.41
▸ KDM5C P41229 2/20 0.41
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM2A Q9Y2K7 2/20 0.41
▸ KDM3A Q9Y4C1 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL28263448 0.94 KDM4E (0.37) KDM4EKMT2ACYP1A2CYP2C9LMNA
SCHEMBL28054268 0.85 CREBBP (0.44) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL28183103 0.80 HSD17B10 (0.38) KDM4EKMT2ACYP1A2CYP2C9HSD17B10
SCHEMBL8848151 0.73 LMNA (0.56) KDM4ECA12CA1CA2CA6
SCHEMBL4231277 0.73 KMO (0.53) KDM4EKMOHPGDMAPK1MAP2K4
SCHEMBL10497239 0.72 AKR1C3 (0.56) CA12CA1CA2CA6CA9
SCHEMBL11264314 0.72 AKR1C3 (0.56) CA12CA1CA2CA6CA9
SCHEMBL11196204 0.72 AKR1C3 (0.61) AKR1C3KMT2ANR4A2KMOMAPK1
SCHEMBL995523 0.72 AKR1C3 (0.61) AKR1C3KMT2ANR4A2KMOMAPK1
SCHEMBL10786907 0.72 KMT2A (0.56) CA12CA1CA2CA6CA9

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-109107329-A A kind of method of separation of methane and nitrogen 浙江大学 2019-01-01 — — CN disclosed
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