SCHEMBL23864533

SCHEMBL23864533

C=C(C)c1ccc(CNC(=O)c2ccccc2NSC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KMT2A Q03164 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ MT-CO2 P00403 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HDAC2 Q92769 2/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL16088682 0.80 APEX1 (0.74) HPGDKDM4EALDH1A1KMT2AGAA
SCHEMBL16088712 0.71 KDM4E (0.77) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL18181886 0.70 KDM4E (0.70) HPGDKDM4EALDH1A1KMT2AGAA
SCHEMBL13932577 0.69 KDM4E (0.65) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL23864209 0.69 PTGER4 (0.51) ALDH1A1KMT2ALMNANR1H4MEN1
SCHEMBL16088749 0.69 APEX1 (0.69) HPGDALDH1A1HSD17B10KMT2AGAA
SCHEMBL16088690 0.69 APEX1 (0.79) HPGDKDM4EALDH1A1KMT2AGAA
SCHEMBL16127952 0.68 ALDH1A1 (0.77) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3580203 0.68 MAPK14 (0.60) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL1034235 0.66 HPGD (0.72) HPGDKDM4EALDH1A1HSD17B10KMT2A

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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