SCHEMBL19749162

SCHEMBL19749162

Cc1cc(C(=O)NC2CCCC(C)C2)c(C)n1-c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ HPGD P15428 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ CNR2 P34972 6/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ TP53 P04637 1/20 0.54
▸ NOTUM Q6P988 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ USP14 P54578 1/20 0.48
▸ USP7 Q93009 1/20 0.48
▸ CNR1 P21554 5/20 0.47
▸ CCR1 P32246 1/20 0.44
▸ PDE4B Q07343 1/20 0.44

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
SCHEMBL6923380 0.88 SMN1; SMN2 (0.78) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL6923383 0.86 SMN1; SMN2 (0.63) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL17949724 0.78 RAB9A (0.82) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL17949737 0.77 RAB9A (0.65) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL6923152 0.76 NOTUM (0.55) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL20662804 0.74 TAS1R3 (0.64) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL23559409 0.73 USP14 (0.65) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL17949745 0.73 USP14 (0.65) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL23524513 0.72 SMN1; SMN2 (0.58) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL6921620 0.72 USP14 (0.63) SMN1; SMN2ALDH1A1CNR2NPSR1NOTUM

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
US-9849135-B2 USP14 inhibitors for treating or preventing viral infections PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-12-26 — — US disclosed
Send feedback