SCHEMBL9311809

SCHEMBL9311809

CCCCCNNc1[nH]ncc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 5/20 0.39
HCAR3 P49019 4/20 0.39
KDM4C Q9H3R0 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4A O75164 3/20 0.36
KDM4D Q6B0I6 3/20 0.36
KDM3B Q7LBC6 3/20 0.36
HIF1AN Q9NWT6 3/20 0.36
KDM5B Q9UGL1 3/20 0.36
KDM2A Q9Y2K7 3/20 0.36
HCAR2 Q8TDS4 3/20 0.35
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10067952 0.73 NPC1 (0.40) KDM6BHCAR3KDM4CHCAR2NPC1
SCHEMBL9308438 0.71 TSHR (0.42) KDM6BKDM4CKDM4AKDM4DHCAR2
SCHEMBL876392 0.69 PLA2G2A (0.43) KDM6BKDM4AKDM4DKDM3BHIF1AN
SCHEMBL3772626 0.67 KDM4E (0.49) CA12CA9L3MBTL1NAAA
SCHEMBL14822490 0.64 HCAR2 (0.43) KDM6BKDM4CKDM4AKDM4DKDM3B
Terephthalic Acid SCHEMBL23270887 0.63 TP53 (0.59) HCAR3HDAC3HDAC1HDAC2NAAA
SCHEMBL9311177 0.63 CYP1A2 (0.38) HDAC3HDAC1HDAC2HDAC8NAAA
SCHEMBL1884483 0.62 CISD1 (0.63) KDM6BHCAR3KDM4CCA12CA9
SCHEMBL29438451 0.62 TSHR (0.53) CA12CA9L3MBTL1NAAA
SCHEMBL7740030 0.61 HCAR2 (0.45) KDM5BHCAR2NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62158283-A None JP disclosed
US-5284958-A Acylation, cyclization of a 5-hydrazine-1H-pyrazole FUJI PHOTO FILM CO., LTD. (JP) 1994-02-08 US disclosed
JP-S62158283-A PRODUCTION OF 1H-PYRAZOLO(3,2-C)-1,2,4-TRIAZOL-7-CARBOXYLATE KONISHIROKU PHOTO IND CO LTD 1987-07-14 JP disclosed