SCHEMBL13673303

SCHEMBL13673303

C[C@H]1C(=O)N(Cc2ccccc2)CC2C(=O)N(Cc3ccccc3)CC(=O)N21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PDE5A O76074 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL14080893 0.77 GAA (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14080978 0.77 GAA (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12021175 0.73 BRD4 (0.43) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL18425663 0.73 CACNA1G (0.50) HPGDTSHRGRM2
SCHEMBL397692 0.71 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL14815101 0.70 KDM4E (0.61) KMT2ASMN1; SMN2HPGDTSHRHDAC6
SCHEMBL14815215 0.70 KDM4E (0.61) KMT2ASMN1; SMN2HPGDTSHRHDAC6
SCHEMBL14833436 0.70 KDM4E (0.61) KMT2ASMN1; SMN2HPGDTSHRHDAC6
SCHEMBL30337582 0.70 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2HPGDTSHR
SCHEMBL14833231 0.70 KDM4E (0.61) KMT2ASMN1; SMN2HPGDTSHRHDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598253-B2 Reverse-turn mimetics and methods relating thereto MYRIAD GENETICS, INC. (US) 2009-10-06 — — US disclosed
US-7598253-B2 Reverse-turn mimetics and methods relating thereto MYRIAD GENETICS, INC. (US) 2009-10-06 — — US disclosed
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