SCHEMBL7991736

SCHEMBL7991736

COc1ccc(-c2[nH]c(-c3ccc(N(C)C)cc3)nc2C(=O)NC2=NCCS2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
TSHR P16473 3/20 0.48
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TP53 P04637 1/20 0.46
AURKA O14965 1/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 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
SCHEMBL7992115 0.91 RAB9A (0.51) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7989176 0.90 NPC1 (0.55) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7977681 0.89 RAB9A (0.54) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7977378 0.86 RAB9A (0.52) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7978151 0.84 RAB9A (0.51) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7995308 0.83 NPC1 (0.48) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7991835 0.83 RAB9A (0.50) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7978046 0.81 RAB9A (0.48) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7989229 0.79 MEN1 (0.56) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL7989576 0.79 RAB9A (0.46) RAB9ANPC1KMT2AALDH1A1MEN1

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