SCHEMBL28958704

SCHEMBL28958704

CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)o1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.51
▸ RIPK1 Q13546 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 2/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LIPE Q05469 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL28958718 0.85 SCD5 (0.53) RIPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL28958770 0.77 HSP90AA1 (0.58) RIPK1ALDH1A1LMNAKMT2AMEN1
SCHEMBL30131237 0.77 NSD2 (0.68) NSD2RIPK1ALDH1A1TDP1KMT2A
SCHEMBL12039097 0.75 RIPK1 (0.58) NSD2RIPK1ALDH1A1LMNATDP1
SCHEMBL11195318 0.75 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ARAB9AMEN1
SCHEMBL10543666 0.74 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ARAB9AMEN1
SCHEMBL10546564 0.74 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ARAB9AMEN1
SCHEMBL2760548 0.73 RIPK1 (0.60) NSD2RIPK1ALDH1A1LMNATDP1
SCHEMBL5645455 0.73 NSD2 (0.67) NSD2RIPK1TDP1KMT2AMEN1
SCHEMBL24315482 0.72 RIPK1 (0.58) NSD2RIPK1ALDH1A1LMNATDP1

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
CN-115707699-A Anti-osteoporosis compound and application thereof 中国医学科学院医药生物技术研究所 2023-02-21 — — CN disclosed
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