SCHEMBL7992014

SCHEMBL7992014

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 2/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 3/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PSMD14 O00487 1/20 0.47
HK1 P19367 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
ALOX15 P16050 1/20 0.44
ADORA2A P29274 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
SCHEMBL7989593 0.91 MEN1 (0.56) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL7995211 0.90 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL7977809 0.90 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PKMCDK5
Hydrochloric Acid SCHEMBL7987780 0.89 MEN1 (0.55) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL7992126 0.89 NPC1 (0.46) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL7977574 0.88 NPC1 (0.49) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL7991917 0.87 MEN1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7991889 0.87 MEN1 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7977728 0.86 MAPT (0.51) RAB9ANPC1SMN1; SMN2PKMCDK5
Hydrochloric Acid SCHEMBL7977432 0.86 MAPT (0.50) 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