SCHEMBL29451575

SCHEMBL29451575

C/C=C/c1c(Cl)cnn(CC(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ HTT P42858 9/20 0.47
▸ MITF O75030 9/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ MAPT P10636 7/20 0.42
▸ S1PR4 O95977 5/20 0.42
▸ S1PR1 P21453 5/20 0.42
▸ TP53 P04637 2/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.41
▸ POLB P06746 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KMO O15229 1/20 0.40
▸ RAB9A P51151 9/20 0.40
▸ LMNA P02545 5/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RECQL P46063 3/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL29452076 0.84 MEN1 (0.46) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL29451310 0.76 ALDH1A1 (0.53) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL2888078 0.76 HTT (0.69) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL29451302 0.74 MITF (0.50) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL15484968 0.73 ALDH1A1 (0.51) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL29451589 0.72 RAB9A (0.48) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL29451307 0.72 ALDH1A1 (0.48) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL29451571 0.71 HTT (0.47) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL29451930 0.70 ALDH1A1 (0.46) ALDH1A1HTTMITFSMN1; SMN2NPC1
SCHEMBL29451786 0.70 HTT (0.46) ALDH1A1HTTMITFSMN1; SMN2NPC1

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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