SCHEMBL7991835

SCHEMBL7991835

CNc1cccc(-c2nc(C(=O)NC3=NCCS3)c(-c3ccc(OC)cc3)[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 7/20 0.46
COMT P21964 1/20 0.46
MEN1 O00255 5/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 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
SCHEMBL7977681 0.90 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7978151 0.89 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7992115 0.89 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7990066 0.88 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7978046 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7989176 0.84 NPC1 (0.55) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7991736 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7977378 0.81 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL7995060 0.80 COMT (0.47) RAB9ANPC1SMN1; SMN2KMT2ACOMT
SCHEMBL7995546 0.80 MAPK1 (0.55) RAB9ANPC1SMN1; SMN2TP53KMT2A

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