SCHEMBL7977884

SCHEMBL7977884

Cc1ccc(-c2[nH]c(-c3ccc4ccccc4c3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.56
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL7989231 0.89 RAB9A (0.47) SIRT2RAB9ANPC1MEN1KMT2A
SCHEMBL7995070 0.86 MEN1 (0.54) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7977513 0.86 MEN1 (0.54) RAB9ANPC1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7977943 0.85 MEN1 (0.53) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7977950 0.85 MAPT (0.53) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL6707244 0.85 RAB9A (0.48) SIRT2RAB9ANPC1MEN1KMT2A
SCHEMBL7992083 0.84 RAB9A (0.50) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7989548 0.83 MEN1 (0.55) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7989403 0.83 AURKA (0.51) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL7978582 0.82 RAB9A (0.52) RAB9ANPC1MEN1KMT2AGAA

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