SCHEMBL29451642

SCHEMBL29451642

Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.66
▸ ALDH1A1 P00352 8/20 0.66
▸ PAX8 Q06710 7/20 0.66
▸ MAPT P10636 6/20 0.66
▸ KMT2A Q03164 6/20 0.66
▸ MEN1 O00255 5/20 0.66
▸ LMNA P02545 4/20 0.66
▸ HTT P42858 4/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ S1PR4 O95977 3/20 0.66
▸ OPRK1 P41145 1/20 0.66
▸ GPR55 Q9Y2T6 1/20 0.66
▸ PRMT5 O14744 8/20 0.65
▸ WDR77 Q9BQA1 8/20 0.65
▸ L3MBTL1 Q9Y468 5/20 0.63
▸ MITF O75030 5/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ NPSR1 Q6W5P4 4/20 0.63
▸ POLB P06746 4/20 0.63
▸ RECQL P46063 2/20 0.63

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
SCHEMBL29451409 0.84 PRMT5 (0.68) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29451735 0.81 PRMT5 (0.80) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29451608 0.81 RAB9A (0.76) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29451580 0.80 RAB9A (0.69) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29451794 0.79 PRMT5 (1.00) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29451862 0.79 PRMT5 (0.62) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29451832 0.79 RAB9A (0.60) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29451918 0.78 RAB9A (0.61) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29452016 0.77 PRMT5 (0.57) RAB9AALDH1A1PAX8MAPTKMT2A
SCHEMBL29452318 0.77 PRMT5 (0.85) RAB9AALDH1A1PAX8MAPTKMT2A

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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