SCHEMBL29451337

SCHEMBL29451337

COC(=O)Cn1ncc(Cl)c(C#N)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 4/20 0.45
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ HTT P42858 3/20 0.44
▸ MITF O75030 3/20 0.44
▸ PAX8 Q06710 2/20 0.42
▸ S1PR4 O95977 2/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL29451786 0.84 HTT (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL24779602 0.81 ALDH1A1 (0.64) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29451272 0.78 KDM4E (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29451589 0.78 RAB9A (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29451407 0.76 RAB9A (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29451457 0.74 RAB9A (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL24640867 0.74 NPBWR1 (0.68) ALDH1A1SMN1; SMN2HTTNPBWR1
SCHEMBL29451604 0.74 RAB9A (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29451328 0.68 MEN1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2895158 0.68 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1

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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