SCHEMBL14601435

SCHEMBL14601435

CC(C)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
MAPT P10636 6/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPK14 Q16539 1/20 0.46
BTK Q06187 1/20 0.46
PHGDH O43175 1/20 0.46
RARB P10826 1/20 0.46
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 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
Hydrochloric Acid SCHEMBL5585774 0.99 LMNA (0.52) LMNAALDH1A1HDAC8HDAC6MAPT
SCHEMBL14601438 0.92 MAPT (0.48) LMNAALDH1A1MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL5585570 0.92 MAPT (0.48) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL14601442 0.92 NPC1 (0.49) MAPTRAB9ANPC1PHGDHHPGD
SCHEMBL14601437 0.91 MAPT (0.53) LMNAALDH1A1HDAC8HDAC6MAPT
SCHEMBL5585504 0.91 NPC1 (0.48) MAPTRAB9ANPC1PHGDHHPGD
Hydrochloric Acid SCHEMBL5585439 0.91 MAPT (0.52) LMNAALDH1A1HDAC8HDAC6MAPT
SCHEMBL14601439 0.90 USP2 (0.45) LMNAALDH1A1MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL5585950 0.90 USP2 (0.44) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL5585763 0.89 ALDH1A1 (0.47) LMNAALDH1A1HDAC8HDAC6MAPT

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