SCHEMBL23937813

SCHEMBL23937813

C#Cc1nn(OC)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.39
ELANE P08246 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GPR3 P46089 1/20 0.32
F2 P00734 2/20 0.31
PLAU P00749 2/20 0.31
CTRB1 P17538 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
HTT P42858 2/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL27344743 0.77 ALDH1A1 (0.47) MPOSMN1; SMN2GPR3ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL27804686 0.75 ALDH1A1 (0.45) MPOSMN1; SMN2GPR3ALDH1A1CYP1A2
SCHEMBL29162356 0.74 GLS (0.47) ELANESMN1; SMN2GPR3F2PLAU
SCHEMBL20674507 0.73 ELANE (0.38) MPOELANEGPR3F2PLAU
SCHEMBL15488683 0.70 MPO (0.37) MPOELANESMN1; SMN2GPR3F2
Oxalic Acid SCHEMBL28043151 0.69 ELANE (0.40) ELANESMN1; SMN2F2PLAUALDH1A1
SCHEMBL1969701 0.68 ELANE (0.49) ELANESMN1; SMN2F2PLAUALDH1A1
SCHEMBL627443 0.65 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL1408375 0.60 SMN1; SMN2 (0.56) SMN1; SMN2GPR3ALDH1A1CYP1A2CYP2C19
SCHEMBL14072748 0.58 GPR3 (0.50) GPR3ALDH1A1CYP2C19KDM4EHPGD

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
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed