SCHEMBL9814539

SCHEMBL9814539

CC(=O)N(c1ccccc1)c1nc(C)cc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APAF1 O14727 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL8795503 0.90 LMNA (0.45) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL10670733 0.80 POLB (0.50) ALDH1A1KMT2ATSHRMEN1GAA
SCHEMBL1111522 0.78 POLB (0.47) ALDH1A1KMT2ATSHRMEN1GAA
SCHEMBL9878999 0.76 LMNA (0.50) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL10661506 0.75 POLB (0.42) ALDH1A1KMT2ATSHRMEN1GAA
SCHEMBL9763207 0.75 LMNA (0.45) ALDH1A1KMT2ATSHRLMNAGAA
SCHEMBL10665553 0.73 ALDH1A1 (0.45) ALDH1A1KMT2ATSHRMEN1GAA
SCHEMBL7589406 0.73 MAPT (0.51) KMT2ATSHRLMNAMAPTHTT
SCHEMBL8759823 0.73 ALDH1A1 (0.52) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL8795671 0.72 RXRA (0.43) ALDH1A1KMT2ATSHRMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3127780-A None JP disclosed
JP-H03127780-A ANILINOPYRIMIDINE DERIVATIVE KUMIAI CHEM IND CO LTD 1991-05-30 JP disclosed