SCHEMBL4564820

SCHEMBL4564820

CCN(Oc1ccccc1)C(=O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
PARP10 Q53GL7 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 4/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTNNB1 P35222 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6236145 0.86 L3MBTL1 (0.41) ALDH1A1L3MBTL1TSHRGLAPARP10
SCHEMBL2065189 0.82 LMNA (0.43) ALDH1A1L3MBTL1TSHRGLANPC1
SCHEMBL27466888 0.80 L3MBTL1 (0.42) ALDH1A1L3MBTL1TSHRGLANPC1
SCHEMBL11310669 0.76 ALDH1A1 (0.50) ALDH1A1PARP10NPC1RAB9ALMNA
SCHEMBL11290932 0.76 SMN1; SMN2 (0.39) L3MBTL1PARP10ALOX15SMN1; SMN2CYP1A2
SCHEMBL10477934 0.74 PARP10 (0.41) L3MBTL1TSHRPARP10ALOX15HSD17B10
Formaldehyde SCHEMBL27540839 0.73 TP53 (0.39) PARP10LMNAMAPTNPSR1CTNNB1
SCHEMBL7538756 0.72 NPC1 (0.54) ALDH1A1L3MBTL1TSHRNPC1RAB9A
SCHEMBL19693446 0.71 TP53 (0.43) TSHRNPC1RAB9ALMNAALOX15
SCHEMBL11312887 0.70 ELANE (0.55) ALDH1A1L3MBTL1NPC1RAB9ALMNA

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed