SCHEMBL8930012

SCHEMBL8930012

Cc1coc(C)c1C([NH])=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 6/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
RECQL P46063 1/20 0.33
USP2 O75604 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL183194 0.79 RAB9A (0.42) RAB9ANPC1ALOX5ALDH1A1ALOX12
SCHEMBL1800550 0.79 NPC1 (0.42) RAB9ANPC1ALOX5ALDH1A1ALOX12
SCHEMBL6966557 0.79 RAB9A (0.42) RAB9ANPC1ALOX5ALDH1A1ALOX12
SCHEMBL6650651 0.77 POLB (0.50) RAB9ANPC1ALOX5ALDH1A1ALOX12
SCHEMBL7321755 0.77 RAB9A (0.41) RAB9ANPC1ALOX5ALDH1A1ALOX12
SCHEMBL19769133 0.76 FFAR1 (0.42) RAB9ANPC1ALOX5ALDH1A1ALOX12
SCHEMBL10846303 0.74 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL6964081 0.72 NPC1 (0.39) RAB9ANPC1ALOX5ALDH1A1ALOX12
SCHEMBL17593665 0.69 NPC1 (0.37) RAB9ANPC1ALOX5ALDH1A1ALOX12
SCHEMBL9789298 0.66 RAB9A (0.43) RAB9ANPC1ALOX5ALDH1A1NPSR1

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-5693827-A Treatment of HIV infections and compounds useful therein UNIROYAL CHEMICAL COMPANY, INC. 1997-12-02 US disclosed