SCHEMBL22792341

SCHEMBL22792341

CC(C)[C@H](C)c1ccc(N2CCN(c3ccccc3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SMO Q99835 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ GFER P55789 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ OGA O60502 2/20 0.43
▸ LMNA P02545 2/20 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
SCHEMBL22792013 0.88 KMT2A (0.54) KMT2AMEN1NPC1RAB9AATM
SCHEMBL21419435 0.83 HTR3A (0.46) KMT2ARAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL20442906 0.83 HTR3A (0.46) KMT2ARAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL21202542 0.82 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL18714256 0.82 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL13102362 0.76 KMT2A (0.57) KMT2AMEN1NPC1RAB9AATM
SCHEMBL2395006 0.73 KMT2A (0.57) KMT2AMEN1NPC1RAB9AATM
SCHEMBL13356261 0.73 KMT2A (0.57) KMT2AMEN1NPC1RAB9AATM
SCHEMBL29377667 0.73 KMT2A (0.57) KMT2AMEN1NPC1RAB9AATM
SCHEMBL155997 0.73 KMT2A (0.57) KMT2AMEN1NPC1RAB9AATM

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
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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