SCHEMBL29205773

SCHEMBL29205773

CC1(C)NCCC1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.32
GLI1 P08151 1/20 0.32
PKM P14618 1/20 0.32
EPHX1 P07099 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
SCHEMBL16112345 0.71 KDM4E (0.34) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL29585508 0.67 KMT2A (0.38) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL238946 0.66
SCHEMBL8596049 0.66
SCHEMBL938236 0.66
SCHEMBL4198280 0.65
SCHEMBL1363759 0.65 GAA (0.32) KMT2A
SCHEMBL13225971 0.65 GAA (0.32) KMT2A
SCHEMBL13225975 0.65 GAA (0.32) KMT2A
SCHEMBL27671928 0.65

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715658-A Method for inhibiting RAS 锐新医药公司 2024-03-15 CN disclosed
CN-117616031-A RAS inhibitors for the treatment of cancer 锐新医药公司 2024-02-27 CN disclosed