SCHEMBL7988044

SCHEMBL7988044

COc1ccc(-c2[nH]c(-c3ccc(N)cc3)nc2C(=O)Nc2nncs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 3/20 0.43
MAPT P10636 8/20 0.43
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.41
PLA2G2A P14555 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL7977897 0.90 RAB9A (0.46) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7992142 0.89 RAB9A (0.47) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7989576 0.89 RAB9A (0.46) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7988275 0.87 MAPT (0.48) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7977759 0.84 MEN1 (0.57) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7991845 0.84 SMN1; SMN2 (0.44) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7995060 0.83 COMT (0.47) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7991985 0.83 SMN1; SMN2 (0.46) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7989018 0.81 MAPT (0.47) NPC1SMN1; SMN2RAB9AL3MBTL1GAA
SCHEMBL7978021 0.79 SMN1; SMN2 (0.43) NPC1SMN1; SMN2RAB9AL3MBTL1MAPT

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed