SCHEMBL29697288

SCHEMBL29697288

C=Cc1cc(C)nc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30
POLB P06746 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL22990718 1.00 LMNA (0.37) LMNAHTTTP53TDP1SMN1; SMN2
SCHEMBL718616 0.84 TP53 (0.41) LMNATP53TDP1ALDH1A1KMT2A
SCHEMBL8759433 0.84 ALDH1A1 (0.38) TP53TDP1ALDH1A1
SCHEMBL1043931 0.78 ALDH1A1 (0.38) LMNAHTTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL31039285 0.78 ALDH1A1 (0.38) LMNAHTTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL9170444 0.76 TP53 (0.35) LMNATP53TDP1SMN1; SMN2ALDH1A1
SCHEMBL18266141 0.74 NOS2 (0.52) TP53TDP1
SCHEMBL31224615 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24737373 0.74 TRPA1 (0.34) LMNAHTTTDP1SMN1; SMN2ALDH1A1
SCHEMBL26768907 0.71 TP53 (0.36) TP53TDP1

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-4010080-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2022-06-15 EP disclosed