SCHEMBL22862876

SCHEMBL22862876

CCCCCCC1CC1c1cccc2ncn(Cc3ccc4c(c3)n(C)c(=O)n4C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ UBE2N P61088 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ ADORA2B P29275 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ NR1I2 O75469 2/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL29490240 0.80 SMN1; SMN2 (0.42) SMN1; SMN2HTTUBE2NL3MBTL1GLA
SCHEMBL22862448 0.80 SMN1; SMN2 (0.42) SMN1; SMN2HTTUBE2NL3MBTL1GLA
SCHEMBL29490334 0.74 SMN1; SMN2 (0.45) SMN1; SMN2HTTUBE2NL3MBTL1GLA
SCHEMBL29490228 0.68 PDE2A (0.41) SMN1; SMN2HTTUBE2NL3MBTL1GLA
SCHEMBL22862649 0.68 PDE2A (0.41) SMN1; SMN2HTTUBE2NL3MBTL1GLA
SCHEMBL22862657 0.65 CSF1R (0.47) SMN1; SMN2HTTUBE2NL3MBTL1LMNA
SCHEMBL38653371 0.65 CSF1R (0.47) SMN1; SMN2HTTUBE2NL3MBTL1LMNA
SCHEMBL22862442 0.65 NTRK1 (0.41) SMN1; SMN2HTTUBE2NL3MBTL1LMNA
SCHEMBL29490261 0.65 NTRK1 (0.41) SMN1; SMN2HTTUBE2NL3MBTL1LMNA
SCHEMBL22862709 0.64 BRD4 (0.45) SMN1; SMN2HTTUBE2NL3MBTL1LMNA

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-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — WO disclosed
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