SCHEMBL7992115

SCHEMBL7992115

COc1ccc(-c2[nH]c(-c3cccc(N(C)C)c3)nc2C(=O)NC2=NCCS2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 8/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 5/20 0.49
TSHR P16473 3/20 0.49
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
COMT P21964 1/20 0.41

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
SCHEMBL7991736 0.91 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7978151 0.90 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7991835 0.89 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7978046 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7989176 0.84 NPC1 (0.55) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7990066 0.84 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7977681 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7977378 0.81 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7977664 0.81 MAPK1 (0.55) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7991985 0.81 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1

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