SCHEMBL7977809

SCHEMBL7977809

CCOc1ccc(-c2[nH]c(-c3ccc(N)cc3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 2/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PSMD14 O00487 1/20 0.48
HK1 P19367 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL7977759 0.90 MEN1 (0.57) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL7977726 0.90 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL7991587 0.90 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7992014 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL7977574 0.89 NPC1 (0.49) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL7977728 0.87 MAPT (0.51) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL7977950 0.87 MAPT (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7977432 0.87 MAPT (0.50) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL7991665 0.86 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7992126 0.86 NPC1 (0.46) RAB9ANPC1SMN1; SMN2PKMCDK5

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