SCHEMBL27712247

SCHEMBL27712247

NC(=O)OC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.67
▸ STAT3 P40763 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ YTHDC1 Q96MU7 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ FLT3 P36888 2/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ WNT3A P56704 1/20 0.50

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
SCHEMBL11485891 0.83 KDM4E (0.71) KDM4ESTAT3HIF1ANPC1RAB9A
SCHEMBL17621877 0.81 KDM4E (0.68) KDM4ESTAT3HIF1ANPC1RAB9A
SCHEMBL82761 0.81 KDM4E (0.62) KDM4ESTAT3HIF1ANPC1RAB9A
SCHEMBL25380488 0.80 KDM4E (0.71) KDM4ESTAT3HIF1ANPC1RAB9A
SCHEMBL29805260 0.80 KDM4E (1.00) KDM4ESTAT3HIF1ANPC1RAB9A
SCHEMBL498053 0.80 KDM4E (1.00) KDM4ESTAT3HIF1ANPC1RAB9A
Hydrochloric Acid SCHEMBL2175299 0.80 KDM4E (0.60) KDM4ESTAT3HIF1ANPC1RAB9A
Hydrochloric Acid SCHEMBL30404733 0.80 KDM4E (0.60) KDM4ESTAT3HIF1ANPC1RAB9A
Hydrochloric Acid SCHEMBL29962256 0.80 KDM4E (0.60) KDM4ESTAT3HIF1ANPC1RAB9A
Hydrochloric Acid SCHEMBL5071439 0.80 KDM4E (0.60) KDM4ESTAT3HIF1ANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101239950-B 1-(substituted benzoyl)-indazole-3-carboxylate or amides compounds thereof, synthesis and application thereof UNIV PLA 2ND MILITARY MEDICAL 2011-01-19 — — CN disclosed
CN-101239950-A 1-(substituted benzoyl)-indazole-3-carboxylate or amides compounds thereof, synthesis and application thereof UNIV PLA 2ND MILITARY MEDICAL (CN) 2008-08-13 — — CN disclosed
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