SCHEMBL4595070

SCHEMBL4595070

Cc1nc(CCN2C=CC3=CC(C(=O)N4CC5(C)CC4CC(C)(C)C5)=CCC32)no1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
AVPR2 P30518 5/20 0.37
AVPR1A P37288 5/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4593612 0.88 LMNA (0.42) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4594629 0.84 LMNA (0.39) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1307391 0.70 LMNA (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12576936 0.59 AVPR1A (0.74) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL14532027 0.58 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3810317 0.58 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13355256 0.58 ALDH1A1 (0.74) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL13215049 0.58 LMNA (0.64) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3455628 0.57 ALDH1A1 (0.69) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2895098 0.57 ALDH1A1 (0.73) LMNAALDH1A1MEN1KMT2ANPSR1

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
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP disclosed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed