SCHEMBL23864523

SCHEMBL23864523

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 5/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23864691 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL16127859 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL13102688 0.74 KCNMA1 (0.60) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4293229 0.74 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL13334328 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL16088604 0.73 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL1015519 0.71 MEN1 (0.47) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4193660 0.71 GAA (0.54) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6177644 0.70 KDM4E (0.57) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL11880437 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDGAA

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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