SCHEMBL29451786

SCHEMBL29451786

N#Cc1c(Cl)cnn(CC(=O)O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 9/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ MITF O75030 8/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ MAPT P10636 6/20 0.43
▸ S1PR4 O95977 4/20 0.43
▸ S1PR1 P21453 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ PAX8 Q06710 2/20 0.43
▸ KMO O15229 1/20 0.42
▸ LMNA P02545 5/20 0.41
▸ POLB P06746 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MDM2 Q00987 1/20 0.38

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
SCHEMBL29451337 0.84 NPC1 (0.46) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL2888078 0.78 HTT (0.69) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL29451310 0.76 ALDH1A1 (0.53) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL29451307 0.74 ALDH1A1 (0.48) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL29451617 0.74 KDM4E (0.47) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL29451302 0.73 MITF (0.50) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL29451467 0.72 HTT (0.46) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL29451930 0.72 ALDH1A1 (0.46) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL15484968 0.71 ALDH1A1 (0.51) HTTALDH1A1MITFNPC1SMN1; SMN2
SCHEMBL29451810 0.71 MITF (0.47) HTTALDH1A1MITFNPC1SMN1; 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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