SCHEMBL25884697

SCHEMBL25884697

C=C(CC)c1cccc(Nc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
ALPG P10696 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
BCL6 P41182 1/20 0.41
ROCK1 Q13464 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CDK2 P24941 2/20 0.39
CHEK1 O14757 1/20 0.39
IKBKB O14920 1/20 0.39
AURKA O14965 1/20 0.39
NPC1 O15118 1/20 0.39
PDPK1 O15530 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL25876087 0.76 MEN1 (0.60) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL25310959 0.75 RAB9A (0.64) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL29466342 0.75 RAB9A (0.64) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL28546720 0.75 CYP1A2 (0.64) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL3759875 0.73 MAPT (1.00) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL25876316 0.72 MAPT (0.60) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL25879067 0.72 KMT2A (0.55) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL25876099 0.72 MEN1 (0.55) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL25883121 0.72 RAB9A (0.55) MAPTKDM4ERAB9AMEN1ALPG
SCHEMBL25876445 0.72 RAB9A (0.55) MAPTKDM4ERAB9AMEN1ALPG

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-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed