SCHEMBL23864361

SCHEMBL23864361

C=Cc1ccc(CNC(=C)c2ccc(F)cc2C(=C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 2/20 0.36
▸ ATG4B Q9Y4P1 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PYGL P06737 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL23864366 0.85 MAPT (0.37) HPGDALDH1A1KMT2A
SCHEMBL23864280 0.81 PYGL (0.53) HPGDKDM4EALDH1A1PYGLPTGER4
SCHEMBL23864722 0.80 ALDH1A1 (0.40) PLA2G1BATG4BTP53HPGDKDM4E
SCHEMBL23864723 0.80 MAPT (0.37) HPGDALDH1A1LMNAKMT2A
SCHEMBL23864370 0.76 LMNA (0.35) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL23864263 0.76 LMNA (0.35) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL23864637 0.72 TXNRD1 (0.37) HPGDALDH1A1LMNAKMT2A
SCHEMBL24006700 0.72 HRH4 (0.30) —
SCHEMBL23864209 0.70 PTGER4 (0.51) TP53ALDH1A1PYGLPTGER4PTGER2
SCHEMBL21207989 0.70 CES2 (0.41) ALDH1A1

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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