SCHEMBL24329970

SCHEMBL24329970

O=C1CCc2nc3ccc(Br)cc3n21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPM1 P06748 3/20 0.37
ALK Q9UM73 3/20 0.37
TP53 P04637 1/20 0.37
CLK1 P49759 1/20 0.37
NOTUM Q6P988 1/20 0.36
AURKA O14965 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ATM Q13315 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP3 P42574 1/20 0.33
LMNA P02545 1/20 0.33
FABP4 P15090 1/20 0.33
SRD5A1 P18405 1/20 0.33
APP P05067 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL30525520 1.00 HPGD (0.37) HPGDALDH1A1NPM1ALKTP53
SCHEMBL24329594 0.81 SMN1; SMN2 (0.44) ALDH1A1NOTUMAURKAMAPTSMN1; SMN2
SCHEMBL9255441 0.76 ALDH1A1 (0.53) HPGDALDH1A1NOTUMMEN1KMT2A
SCHEMBL17531765 0.76 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL946355 0.70 NOTUM (0.62) HPGDALDH1A1TP53CLK1NOTUM
SCHEMBL21320757 0.69 ALDH1A1 (0.46) HPGDALDH1A1TP53MEN1KMT2A
SCHEMBL24329884 0.68 MEN1 (0.51) HPGDALDH1A1TP53MEN1KMT2A
SCHEMBL7484548 0.67 ALDH1A1 (0.50) HPGDALDH1A1NOTUMMEN1KMT2A
SCHEMBL422637 0.65 HTT (0.42) HPGDALDH1A1NPM1ALKTP53
SCHEMBL31228880 0.65 HTT (0.42) ALDH1A1NPM1ALKMEN1KMT2A

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
WO-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed