SCHEMBL7238656

SCHEMBL7238656

O=C(CCc1ccccc1O)Nc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM1A O60341 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 3/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9973859 0.87 HDAC3 (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6104589 0.86 HCAR2 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL26048392 0.82 TAAR1 (0.55) RAB9ANPC1ALDH1A1KMT2AGAA
SCHEMBL3223491 0.80 KDM1A (0.60) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14227347 0.79 MEN1 (0.59) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6102325 0.79 MEN1 (0.58) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9973863 0.79 SELL (0.49) RAB9AALDH1A1HSD17B10KMT2AGAA
SCHEMBL13416408 0.79 KDM1A (0.68) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5536448 0.79 MAPK1 (0.69) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9850232 0.79 TDP1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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-6602987-B1 4'-hydroxyazobenzene-2-carboxylic acid (HABA) compounds; useful as reagents for labeling, isolation and detection of biological molecules YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2003-08-05 US disclosed