SCHEMBL28263448

SCHEMBL28263448

O=C(Oc1nc[nH]n1)c1cccc(C(=O)Oc2nc[nH]n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A4 P14672 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ ATM Q13315 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
SCHEMBL28263450 0.94 KDM4E (0.41) KDM4EKMT2AGAALMNACYP1A2
SCHEMBL28054268 0.91 CREBBP (0.44) KDM4EALDH1A1ALOX15MAPTCREBBP
SCHEMBL28183103 0.85 HSD17B10 (0.38) KDM4EALDH1A1ALOX15MAPTKMT2A
SCHEMBL29073835 0.70 KMT2A (0.43) KDM4EALDH1A1NPSR1USP2ALOX15
SCHEMBL22428981 0.70 ESR1 (0.47) KDM4EALDH1A1NPSR1MAPTESR1
SCHEMBL10747388 0.70 — —
SCHEMBL1687074 0.70 — —
SCHEMBL15234294 0.68 KDM4E (0.41) KDM4EALDH1A1NPSR1USP2ALOX15
SCHEMBL28612196 0.67 NSD2 (0.50) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL69684 0.66 NSD2 (0.63) KDM4EALDH1A1ALOX15MAPTESR1

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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