SCHEMBL29451604

SCHEMBL29451604

COC(=O)Cn1ncc(Cl)c(C=NO)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.45
▸ NPC1 O15118 7/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ MAPT P10636 7/20 0.43
▸ LMNA P02545 5/20 0.43
▸ TP53 P04637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 8/20 0.42
▸ HTT P42858 7/20 0.42
▸ MITF O75030 7/20 0.42
▸ S1PR4 O95977 3/20 0.38
▸ S1PR1 P21453 3/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ NPBWR1 P48145 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL29451457 1.00 RAB9A (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29451589 0.87 RAB9A (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24779602 0.79 ALDH1A1 (0.64) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29451272 0.76 KDM4E (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29451337 0.74 NPC1 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29451407 0.74 RAB9A (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29452076 0.71 MEN1 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29451575 0.69 ALDH1A1 (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29451328 0.66 MEN1 (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2895158 0.66 ALDH1A1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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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