SCHEMBL25879067

SCHEMBL25879067

O=C(NCCNC(=O)c1cccc(Nc2ccccc2)n1)c1cccc(Nc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALPG P10696 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
GRM5 P41594 1/20 0.43
EPHX2 P34913 1/20 0.41
PDE5A O76074 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL25882621 0.91 KMT2A (0.49) KMT2AMAPTMEN1KDM4EALPG
SCHEMBL25882618 0.86 BCHE (0.45) KMT2AMAPTMEN1KDM4EALPG
SCHEMBL25310959 0.82 RAB9A (0.64) KMT2AMAPTMEN1KDM4EALPG
SCHEMBL29466342 0.82 RAB9A (0.64) KMT2AMAPTMEN1KDM4EALPG
SCHEMBL25876087 0.79 MEN1 (0.60) KMT2AMAPTMEN1KDM4EALPG
SCHEMBL25876316 0.79 MAPT (0.60) KMT2AMAPTMEN1KDM4EALPG
SCHEMBL25311803 0.76 MAPT (0.45) KMT2AMAPTMEN1KDM4EALPG
SCHEMBL25311797 0.76 MAPT (0.45) KMT2AMAPTMEN1KDM4EALPG
SCHEMBL25879066 0.76 GSK3A (0.57) KMT2AMAPTRAB9A
SCHEMBL7341190 0.76 RAB9A (0.47) KMT2AMAPTMEN1KDM4EALPG

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