SCHEMBL31049402

SCHEMBL31049402

CC1(c2ccc3[nH]c(CCCCn4cccn4)c(C#N)c3c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL31049365 0.74 HTT (0.36) L3MBTL1TDP1MAPT
SCHEMBL27835978 0.62 OXER1 (0.48) KDM4EALDH1A1NR3C1MEN1KMT2A
SCHEMBL28740845 0.61 KDM4E (0.44) KDM4EALDH1A1NR3C1MEN1KMT2A
SCHEMBL7100687 0.58 DAO (0.43) ALDH1A1L3MBTL1MAPT
SCHEMBL31049353 0.58 KDM4E (0.33) KDM4EALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL26316767 0.57 HRH1 (0.47) ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL25784580 0.57 KDM4E (0.41) KDM4EALDH1A1L3MBTL1NPSR1TDP1
SCHEMBL45207 0.56 TLR8 (0.44) ALDH1A1L3MBTL1KMT2A
SCHEMBL10776402 0.55 DAO (0.35) KDM4EKMT2A
SCHEMBL17672585 0.55 USP14 (0.38) —

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-118359627-A MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure 烨辉医药科技(上海)有限公司 2024-07-19 — — CN disclosed
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