SCHEMBL7955092

SCHEMBL7955092

Bc1ccc(-c2csc(NC(=O)CCc3ccccc3)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.52
MEN1 O00255 11/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 6/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 4/20 0.48
NPC1 O15118 4/20 0.47
LMNA P02545 1/20 0.47
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47
NLRP3 Q96P20 1/20 0.47
KDM4E B2RXH2 1/20 0.47
BLM P54132 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
SCHEMBL1954783 0.89 HCAR2 (0.57) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1954102 0.88 ANO1 (0.61) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1954819 0.88 MEN1 (0.56) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1952340 0.85 MEN1 (0.64) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL12271471 0.85 KMT2A (0.49) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1954767 0.85 RAB9A (0.55) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1954403 0.83 ANO1 (0.60) ANO1
SCHEMBL1951853 0.83 ANO1 (0.51) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL3628782 0.83 MEN1 (0.49) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1953118 0.82 ANO1 (0.58) KMT2AMEN1ANO1

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-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 WO disclosed