SCHEMBL9868757

SCHEMBL9868757

Clc1cccc(Cl)c1-c1nc2ncccc2o1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 4/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 3/20 0.57
HSD17B10 Q99714 3/20 0.55
TP53 P04637 2/20 0.47
ALOX12 P18054 1/20 0.47
HAVCR2 Q8TDQ0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.43
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL9867464 0.82 KDM4E (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11646929 0.80 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9868687 0.80 KDM4E (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9868781 0.77 MAPT (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9868181 0.77 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12910353 0.75 NPC1 (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12910362 0.75 NPC1 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2414410 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11646028 0.74 MAPT (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1675417 0.74 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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-5061713-A NO ANTIINFLAMMATORY ACTIVITY SCIENCE ET ORGANIZATION (FR) 1991-10-29 US disclosed