SCHEMBL8616448

SCHEMBL8616448

Nc1ccc(C(=O)Nc2ccccn2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
ALDH1A1 P00352 1/20 0.65
JAK2 O60674 1/20 0.60
TYK2 P29597 1/20 0.60
KCNMA1 Q12791 1/20 0.58
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
GRM5 P41594 3/20 0.53
SORT1 Q99523 1/20 0.53
GPR27 Q9NS67 1/20 0.52
PPARG P37231 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51

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
SCHEMBL18146062 0.89 SMN1; SMN2 (0.64) TP53ALDH1A1KCNMA1KMT2AMEN1
SCHEMBL11731085 0.83 NPC1 (0.56) TP53KCNMA1KMT2AMEN1KDM4E
SCHEMBL5225094 0.82 KMT2A (0.69) TP53ALDH1A1JAK2TYK2KCNMA1
Hydrochloric Acid SCHEMBL30416797 0.81 KMT2A (0.67) TP53ALDH1A1JAK2TYK2KCNMA1
SCHEMBL21750984 0.81 RAB9A (0.72) KMT2AMEN1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL8618810 0.79 ALDH1A1 (1.00) TP53ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8311977 0.78 JAK2 (0.73) TP53ALDH1A1JAK2TYK2KMT2A
SCHEMBL3151420 0.78 KCNMA1 (0.73) TP53ALDH1A1KCNMA1KMT2AMEN1
SCHEMBL30171601 0.77 HPGD (0.77) ALDH1A1KMT2AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL3365984 0.76 RAB9A (0.83) TP53KMT2AMEN1KDM4EL3MBTL1

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
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed