SCHEMBL29201007

SCHEMBL29201007

Cn1cnc(-c2ccc(Oc3ccccc3)cc2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.44
NUDT14 O95848 1/20 0.42
NUDT5 Q9UKK9 1/20 0.42
TNK2 Q07912 1/20 0.42
SCN9A Q15858 2/20 0.42
KDM5A P29375 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 5/20 0.41
BCL2 P10415 2/20 0.41
MDM2 Q00987 2/20 0.41
SCN4A P35499 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL4801949 0.86 KDR (0.54) FLT1KDRKDM5AKDM2BKDM4C
SCHEMBL14710604 0.79 KDM4C (0.43) DHODHKDRKDM5AKDM2BKDM4C
SCHEMBL12727152 0.75 KDR (0.53) FLT1KDRALDH1A1LMNAMAPT
SCHEMBL4796730 0.74 KDR (0.52) FLT1KDRKDM4CLMNA
SCHEMBL12457299 0.72 NSD2 (0.40) KDRKDM5AKDM2BKDM4CKDM5B
SCHEMBL10082090 0.71 TAAR1 (0.48) KDM4CALDH1A1LMNA
SCHEMBL20028095 0.71 SMN1; SMN2 (0.55) KDRALDH1A1LMNAMAPT
SCHEMBL15013223 0.70 HRH3 (0.41) KDRKDM5AKDM2BKDM4CKDM5B
SCHEMBL14788595 0.70 KDM4C (0.40) KDRKDM5AKDM2BKDM4CKDM5B
SCHEMBL8214146 0.68 NUDT14 (0.50) NUDT14NUDT5TNK2ALDH1A1LMNA

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-114761399-B Imidazole carboxamide derivatives as bruton's tyrosine kinase inhibitors 河南知微生物医药有限公司 2024-03-26 CN disclosed