SCHEMBL11727745

SCHEMBL11727745

O=[N+]([O-])c1cnc(C2CCCCC2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ RAB9A P51151 2/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL17008861 0.78 MAPT (0.32) RAB9A
SCHEMBL9761766 0.73 RIPK1 (0.50) HPGDMEN1KMT2ACDK2RIPK1
SCHEMBL6633135 0.69 NPC1 (0.42) HPGDRAB9ACDK2KDM4EALDH1A1
SCHEMBL6633132 0.69 KDM4E (0.37) HPGDKMT2ARAB9AKDM4EALDH1A1
SCHEMBL10061828 0.68 CDC7 (0.41) KMT2ARAB9ACDK2KDM4EALDH1A1
SCHEMBL12441774 0.68 MAPT (0.35) HPGDALDH1A1
SCHEMBL29793430 0.68 ALDH1A1 (0.37) HPGDALDH1A1NPC1
SCHEMBL19862537 0.67 NPC1 (0.40) HPGDRAB9ACDK2KDM4EALDH1A1
SCHEMBL7602015 0.67 KDM4E (0.34) HPGDRAB9ACDK2KDM4EALDH1A1
SCHEMBL11733107 0.67 RAB9A (0.37) HPGDHSP90AA1RAB9ARIPK1KDM4E

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-4021442-A Production of 1-alkyl-5-nitroimidazoles BASF AKTIENGESELLSCHAFT (DT) 1977-05-03 — — US disclosed
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