SCHEMBL7977897

SCHEMBL7977897

COc1ccc(-c2[nH]c(-c3cccc(N)c3)nc2C(=O)Nc2nncs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
COMT P21964 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
PARP1 P09874 3/20 0.40
PLA2G2A P14555 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS2 P35354 1/20 0.40
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
SCHEMBL7988044 0.90 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7991985 0.89 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7995060 0.89 COMT (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7989018 0.86 MAPT (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7989571 0.86 MAPK1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7978021 0.83 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7992142 0.83 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7989576 0.83 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7988275 0.81 MAPT (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7978151 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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