SCHEMBL29451540

SCHEMBL29451540

Cc1c(F)cnn(C(C)C(=O)Nc2ccc3c(c2)S(=O)(=O)NCCCN3)c1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 3/20 0.35
▸ PRMT5 O14744 4/20 0.34
▸ WDR77 Q9BQA1 4/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RIOK1 Q9BRS2 1/20 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
SCHEMBL29452153 0.87 PRMT5 (0.35) FPR1PRMT5WDR77MMP2MMP9
SCHEMBL29452230 0.86 PRMT5 (0.45) PRMT5WDR77MMP2MMP9RAB9A
SCHEMBL29451727 0.86 PRMT5 (0.45) PRMT5WDR77MMP2MMP9RAB9A
SCHEMBL29452047 0.81 PRMT5 (0.47) PRMT5WDR77RAB9ANPC1MAPT
SCHEMBL29451823 0.76 KDM4E (0.40) FPR1PRMT5WDR77RAB9ANPC1
SCHEMBL29451784 0.71 PRMT5 (0.44) PRMT5WDR77RAB9ANPC1MAPT
SCHEMBL29451728 0.70 KCNJ6 (0.52) PRMT5WDR77RAB9ANPC1KDM4E
SCHEMBL29451404 0.68 RAB9A (0.55) PRMT5WDR77RAB9ANPC1MAPT
SCHEMBL29451708 0.64 ALDH1A1 (0.46) RAB9APOLBKDM4E
SCHEMBL29451586 0.59 ABCC8 (0.44) MAPTKDM4E

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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