SCHEMBL25878981

SCHEMBL25878981

O=C(NC1CCN(C(=O)c2cccc(-c3cn4ccccc4n3)c2)CC1)c1cccc(Nc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
RAB9A P51151 5/20 0.54
POLB P06746 4/20 0.54
LMNA P02545 3/20 0.54
GFER P55789 1/20 0.54
ALDH1A1 P00352 9/20 0.50
HPGD P15428 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
HPGDS O60760 3/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.44
ATR Q13535 2/20 0.42
PTK2B Q14289 1/20 0.41

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
SCHEMBL25312201 0.89 KDM4E (0.52) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL29466302 0.89 KDM4E (0.52) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL29466348 0.88 KDM4E (0.51) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25313050 0.88 KDM4E (0.51) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL29484624 0.87 RAB9A (0.56) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25311588 0.87 RAB9A (0.56) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25311960 0.85 KDM4E (0.56) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL29484618 0.85 KDM4E (0.53) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25312448 0.85 KDM4E (0.53) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25877650 0.85 KDM4E (0.55) KDM4ESMN1; SMN2RAB9APOLBLMNA

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