SCHEMBL23615744

SCHEMBL23615744

O=C(CC1(O)C(=O)N(CCc2c[nH]c3ccc(Cl)cc23)c2ccccc21)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 9/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CBX7 O95931 2/20 0.48
▸ CDYL2 Q8N8U2 2/20 0.48
▸ CDYL Q9Y232 2/20 0.48
▸ CDY1; CDY1B Q9Y6F8 2/20 0.48
▸ MAPT P10636 5/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 3/20 0.45

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
SCHEMBL22761257 1.00 TP53 (0.49) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22761016 0.95 TP53 (0.53) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23615678 0.95 TP53 (0.53) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22761325 0.95 TP53 (0.55) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23615642 0.94 ALDH1A1 (0.50) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22761146 0.94 ALDH1A1 (0.50) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23615669 0.90 TP53 (0.55) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22761022 0.90 TP53 (0.55) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23615701 0.89 TP53 (0.51) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22761102 0.89 TP53 (0.51) TP53ALDH1A1MEN1KMT2ASMN1; SMN2

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-3634957-B1 NMDA RECEPTOR MODULATORS, COMPOSITIONS COMPRISING SAME AND USE OF THESE COMPOUNDS IN THE TREATMENT OF DISEASES INVOLVING THE CENTRAL NERVOUS SYSTEM ADPUERIVITAM (FR) 2021-07-07 — — EP disclosed
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