SCHEMBL7228342

SCHEMBL7228342

NN=Cc1ccc(OCc2c(F)cccc2F)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX12 P18054 1/20 0.33
NTSR1 P30989 1/20 0.33
CCR6 P51684 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7235343 0.86 ALDH1A1 (0.52) ALDH1A1LMNAUSP2MAPTSMN1; SMN2
SCHEMBL7235370 0.81 CCR5 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL7239605 0.80 PLAU (0.48) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL2658182 0.80 CCR5 (0.48) ALDH1A1LMNAUSP2MAPTSMN1; SMN2
SCHEMBL2648987 0.75 IDO1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL7235286 0.74 TACR1 (0.42) ALDH1A1MAPTPRMT5GCGRGAA
SCHEMBL7230499 0.74 HPGD (0.51) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL2650002 0.74 IDO1 (0.37) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL7228644 0.74 IDO1 (0.55) ALDH1A1LMNAMAPTHPGDALOX12
SCHEMBL7237910 0.74 ABCB1 (0.49) MAPTSMN1; SMN2HTT

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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed