SCHEMBL15919336

SCHEMBL15919336

COc1ccc(-n2c(C)cc(C(=O)CI)c2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
MAPT P10636 8/20 0.76
KMT2A Q03164 5/20 0.76
HTT P42858 5/20 0.76
MEN1 O00255 3/20 0.76
MITF O75030 3/20 0.76
RAB9A P51151 3/20 0.76
HKDC1 Q2TB90 2/20 0.76
NPSR1 Q6W5P4 2/20 0.63
KDM4E B2RXH2 3/20 0.62
GLA P06280 1/20 0.62
APOBEC3A P31941 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
LMNA P02545 12/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MAPK1 P28482 3/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NOTUM Q6P988 1/20 0.56
NPC1 O15118 1/20 0.55

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
SCHEMBL21749691 0.86 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL15919341 0.85 NOTUM (0.67) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL1981311 0.82 NOTUM (0.74) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL6922668 0.81 SMN1; SMN2 (0.76) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL17949730 0.81 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL17949728 0.80 SMN1; SMN2 (0.78) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL15919337 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL15919335 0.77 NOTUM (0.71) ALDH1A1MAPTHTTRAB9ALMNA
SCHEMBL17949729 0.77 SMN1; SMN2 (0.76) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL15919339 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AHTTMEN1

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-2014116228-A1 USP14 INHIBITORS FOR TREATING OR PREVENTING VIRAL INFECTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-07-31 WO disclosed