SCHEMBL22792013

SCHEMBL22792013

CC(C)c1ccc(N2CCN(c3ccccc3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ GAA P10253 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SMO Q99835 1/20 0.46
▸ LMNA P02545 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ GFER P55789 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL22792341 0.88 KMT2A (0.51) KMT2AMEN1ATMNPC1RAB9A
SCHEMBL10127337 0.82 HTR3A (0.49) RAB9AALDH1A1L3MBTL1PANK3
SCHEMBL13466366 0.82 CNR2 (0.48) ALDH1A1MAPTLMNANPSR1PANK3
SCHEMBL14349207 0.82 PANK3 (0.46) ALDH1A1MAPTHPGDSMOLMNA
SCHEMBL1911473 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL14924078 0.81 OGA (0.50) PANK3
SCHEMBL4547927 0.80 CNR2 (0.50) ALDH1A1MAPTLMNANPSR1PANK3
SCHEMBL26027624 0.80 DHFR (0.45) MAPTSMOMAPK1PANK3KCNH2
SCHEMBL13102362 0.79 KMT2A (0.57) KMT2AMEN1ATMNPC1RAB9A
SCHEMBL19001135 0.78 OGA (0.44) SMOPANK3

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
Send feedback