SCHEMBL14385643

SCHEMBL14385643

CC1(C)OCC(c2cc(-c3ccc(Br)cc3)nc(OC(C(=O)O)c3ccccc3)c2C#N)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
APAF1 O14727 1/20 0.38
USP2 O75604 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SQOR Q9Y6N5 5/20 0.36
PIM1 P11309 3/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL14385243 0.94 SQOR (0.38) ALDH1A1NPSR1LMNASMN1; SMN2KDM4E
SCHEMBL14385810 0.90 NPSR1 (0.34) ALDH1A1NPSR1LMNASMN1; SMN2KDM4E
SCHEMBL14385642 0.85 ALDH1A1 (0.37) ALDH1A1NPSR1LMNASMN1; SMN2KDM4E
SCHEMBL14385272 0.83 SQOR (0.37) ALDH1A1NPSR1KDM4EKMT2APPARG
SCHEMBL14385662 0.83 SQOR (0.37) ALDH1A1NPSR1KDM4EKMT2APPARG
SCHEMBL14385603 0.81 MEN1 (0.35) ALDH1A1KDM4EKMT2APPARGNPC1
SCHEMBL14385814 0.75 KMT2A (0.34) ALDH1A1NPSR1LMNASMN1; SMN2KDM4E
SCHEMBL14385873 0.74 PIM1 (0.40) ALDH1A1NPSR1LMNAKMT2AMAPT
SCHEMBL14385641 0.74 KDM4E (0.39) ALDH1A1NPSR1SMN1; SMN2KDM4EKMT2A
SCHEMBL14385583 0.72 CACNA1D (0.31)

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
WO-2007124545-A1 INTEGRASE INHIBITORS - 2 AVEXA LIMITED (AU) 2007-11-08 WO disclosed