SCHEMBL15919339

SCHEMBL15919339

COc1ccccc1-n1c(C)cc(C(=O)CI)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOTUM Q6P988 6/20 0.48
MAPT P10636 6/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MITF O75030 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTBP1 P26599 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6921913 0.82 KDM4E (0.61) ALDH1A1HPGDMAPK1TDP1MAPT
SCHEMBL15919336 0.76 ALDH1A1 (0.76) ALDH1A1HPGDMAPK1NOTUMMAPT
SCHEMBL28199327 0.73 NPC1 (0.62) ALDH1A1HPGDLMNARAB9ANPC1
SCHEMBL15919335 0.72 NOTUM (0.71) ALDH1A1HPGDNOTUMMAPTLMNA
SCHEMBL15919341 0.72 NOTUM (0.67) ALDH1A1HPGDTDP1NOTUMMAPT
SCHEMBL4638678 0.69 NOTUM (0.60) ALDH1A1HPGDMAPK1TDP1NOTUM
SCHEMBL21354520 0.68 GAA (0.56) ALDH1A1HPGDMAPK1MAPTLMNA
SCHEMBL21354434 0.68 ALDH1A1 (0.58) ALDH1A1HPGDMAPTLMNAHTT
SCHEMBL5004887 0.68 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1TDP1NOTUM
SCHEMBL28674639 0.68 ALDH1A1 (0.48) ALDH1A1HPGDMAPTLMNAHTT

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