SCHEMBL28958770

SCHEMBL28958770

Cc1cccc(CN(C)C(=O)c2ccc(Cl)o2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.58
▸ HSD17B2 P37059 4/20 0.48
▸ HSD17B1 P14061 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ LIMK1 P53667 1/20 0.41
▸ LIMK2 P53671 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41

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) HSP90AA1HSD17B2HSD17B1ALDH1A1HPGD
SCHEMBL28958704 0.77 NSD2 (0.51) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL18773897 0.77 KMT2A (0.69) HSP90AA1HSD17B2HSD17B1ALDH1A1HPGD
SCHEMBL13114705 0.75 HSP90AA1 (0.56) HSP90AA1HSD17B2HSD17B1ALDH1A1KMT2A
SCHEMBL18773963 0.74 MEN1 (0.60) HSP90AA1HSD17B2HSD17B1HPGDKMT2A
SCHEMBL20677844 0.74 HSP90AA1 (1.00) HSP90AA1PDK1
SCHEMBL10548973 0.73 RIPK1 (0.53) HSD17B2HSD17B1ALDH1A1HPGDLMNA
SCHEMBL19182758 0.73 HSP90AA1 (0.68) HSP90AA1HSD17B2HSD17B1KMT2AMEN1
SCHEMBL15645684 0.72 HSD17B2 (0.56) HSP90AA1HSD17B2HSD17B1ALDH1A1HPGD
SCHEMBL14524623 0.72 HSP90AA1 (0.53) HSP90AA1HSD17B2HSD17B1KMT2AMEN1

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
Send feedback