SCHEMBL31049388

SCHEMBL31049388

COc1cccc2c(F)c(CCCCn3cc(Br)cn3)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MCL1 Q07820 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HDAC3 O15379 3/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ HDAC4 P56524 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32

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
SCHEMBL31049273 0.90 REN (0.33) ALDH1A1HPGDJAK2JAK3
SCHEMBL31049371 0.86 ALDH1A1 (0.34) POLBMAPTHDAC1HDAC6ALDH1A1
SCHEMBL31049269 0.86 ALDH1A1 (0.35) ALDH1A1HPGDGAAHTT
SCHEMBL31049293 0.84 ALDH1A1 (0.34) HDAC1HDAC6ALDH1A1HDAC3HDAC7
SCHEMBL31049356 0.74 CNR2 (0.47) MEN1KMT2AKDM4EHDAC1HDAC6
SCHEMBL31049408 0.70 IP6K1 (0.32) —
SCHEMBL31049311 0.67 CNR2 (0.37) KMT2APOLBMAPTLMNAALDH1A1
SCHEMBL3792320 0.65 ALDH1A1 (0.39) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL31049393 0.64 ICMT (0.41) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL31049268 0.64 ALDH1A1 (0.36) KMT2APOLBLMNAALDH1A1HPGD

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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