SCHEMBL14601436

SCHEMBL14601436

CC(C)N(c1cccc(C(=O)O)c1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
TP53 P04637 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 3/20 0.43
MCL1 Q07820 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Hydrochloric Acid SCHEMBL5585415 0.99 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL14601437 0.93 MAPT (0.53) MAPTSMN1; SMN2RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL5585439 0.92 MAPT (0.52) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL14601438 0.91 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL5585570 0.90 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL14601443 0.87 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL5585447 0.86 MAPT (0.44) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL5585817 0.86 HDAC3 (0.45) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL14601435 0.84 LMNA (0.53) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL14601442 0.84 NPC1 (0.49) MAPTRAB9ANPC1KMT2AHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed