SCHEMBL7963923

SCHEMBL7963923

Cc1ccccc1-c1csc(NC(=O)C2CC2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.48
▸ KMT2A Q03164 10/20 0.48
▸ MAPT P10636 4/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ SLC12A2 P55011 1/20 0.44
▸ SLC12A5 Q9H2X9 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 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
SCHEMBL1799720 0.87 KMT2A (0.61) MEN1KMT2AMAPTNPC1GRIN2C
SCHEMBL1894620 0.85 MEN1 (0.46) MEN1KMT2AMAPTNPC1GRIN2C
SCHEMBL1954895 0.76 ANO1 (0.54) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL1907629 0.76 ABL1 (0.56) MEN1KMT2AMAPTCASP3SENP8
SCHEMBL12271566 0.72 CASP3 (0.56) MEN1KMT2AMAPTNPC1GRIN2C
SCHEMBL21259065 0.72 MEN1 (0.73) MEN1KMT2ANPC1GRIN2CALDH1A1
SCHEMBL1954030 0.71 ANO1 (0.63) MEN1KMT2AANO1
SCHEMBL1954473 0.71 MEN1 (0.55) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL15258591 0.71 CASP3 (0.56) MEN1KMT2ANPC1GRIN2CRAB9A
SCHEMBL28760465 0.71 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1POLB

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
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