SCHEMBL11083276

SCHEMBL11083276

CC(NC(=O)c1ccccc1C(=O)Nc1ccccc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 3/20 0.54
▸ BCAT2 O15382 2/20 0.53
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP2C9 P11712 2/20 0.49
▸ METAP2 P50579 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ BCL2 P10415 1/20 0.48

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
SCHEMBL11077042 0.90 LMNA (0.56) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL11073535 0.85 TSHR (0.60) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL11075282 0.84 PTPN1 (0.57) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL11078859 0.81 HDAC1 (0.59) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL10597627 0.80 SMN1; SMN2 (0.71) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL437231 0.79 ALDH1A1 (0.87) ALDH1A1HPGDBCAT2MEN1KMT2A
SCHEMBL11076637 0.79 SMN1; SMN2 (0.55) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL13754121 0.78 HPGD (0.50) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL11266257 0.77 ALDH1A1 (0.83) ALDH1A1HPGDBCAT2MEN1KMT2A
SCHEMBL11266259 0.77 ALDH1A1 (0.83) ALDH1A1HPGDBCAT2MEN1KMT2A

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-0119428-A2 Biscarboxamides for treating diseases, and process for their preparation BAYER AG (DE) 1984-09-26 — — EP disclosed
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