SCHEMBL23864691

SCHEMBL23864691

C=C(Nc1ccc(Cl)cc1C#N)c1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ SERPINE1 P05121 4/20 0.43
▸ GRIK1 P39086 4/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL23864523 0.89 ALDH1A1 (0.43) ALDH1A1GAAMAPTLMNATDP1
SCHEMBL16127859 0.88 ALDH1A1 (0.54) ALDH1A1GAAMAPTLMNATDP1
SCHEMBL4293229 0.78 KDM4E (0.48) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL13102688 0.78 KCNMA1 (0.60) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL16088604 0.76 KDM4E (0.48) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL23864601 0.76 TRPM4 (0.51) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL1015519 0.75 MEN1 (0.47) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL6177644 0.74 KDM4E (0.57) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL10401308 0.73 SMN1; SMN2 (0.57) ALDH1A1KDM4EHSD17B10GRIK1
SCHEMBL16088610 0.72 KMT2A (0.55) ALDH1A1GAAMAPTLMNAKDM4E

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
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
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