SCHEMBL22989952

SCHEMBL22989952

O=c1[nH]cnc2c(=O)n(Cc3ccccc3)ncc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
PPARG P37231 2/20 0.45
HTT P42858 2/20 0.45
NCOA2 Q15596 2/20 0.45
NCOA1 Q15788 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4A O75164 2/20 0.44
KDM4B O94953 2/20 0.44
KDM5C P41229 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
IP6K1 Q92551 1/20 0.43

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
SCHEMBL11288191 0.83 MAPT (1.00) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL22989951 0.77 MAPT (0.48) MAPTALDH1A1LMNAHPGDPPARG
SCHEMBL22989950 0.73 PKM (0.58) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8273298 0.70 HSD17B10 (0.51) MAPTKMT2AALDH1A1LMNAHPGD
SCHEMBL1691901 0.70 HTT (0.71) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL26853275 0.70 PKM (0.65) MAPTALDH1A1LMNAHPGDPPARG
SCHEMBL29703247 0.69 TDP1 (0.72) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9027681 0.69 TDP1 (0.72) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL23122092 0.69 HSD17B10 (0.55) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL18548276 0.69 L3MBTL1 (0.51) MAPTKDM4AKDM4BKDM5CKDM5B

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
WO-2021027943-A1 PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-02-18 WO disclosed