SCHEMBL30006668

SCHEMBL30006668

Cc1ccc2cc(CCCc3ccccc3)n(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OXER1 Q8TDS5 4/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CYP19A1 P11511 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
SCHEMBL30005781 0.84 KMT2A (0.46) KMT2A
SCHEMBL18126613 0.73 KCNH2 (0.44) MEN1KMT2ATDP1L3MBTL1
SCHEMBL25254954 0.73 MAPT (0.44) MEN1KMT2ACYP19A1
SCHEMBL18112910 0.71 OXER1 (0.49) MEN1KMT2AOXER1
P-Xylene SCHEMBL20836571 0.71 HTR2A (0.56) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL2356590 0.69 HTR2A (0.60) ATMTDP1L3MBTL1
SCHEMBL11686076 0.68 KMT2A (0.68) MEN1KMT2AATMTDP1L3MBTL1
SCHEMBL4672103 0.68 OXER1 (0.52) KMT2AOXER1
SCHEMBL3016081 0.68 TAAR1 (0.61) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL31500446 0.68 TAAR1 (0.61) MEN1KMT2ANOS3NOS1NOS2

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
CN-111559974-B Seven-membered ring fused cyclopenta [ b ] indole derivative and synthesis method and application thereof 华东师范大学 2022-10-25 CN disclosed