SCHEMBL6557067

SCHEMBL6557067

Cc1n[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1/C=C/C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL6557364 0.80 KCNN4 (0.30)
SCHEMBL6066190 0.73 SMN1; SMN2 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6558343 0.72 NPC1 (0.41) P2RX3NPC1ALDH1A1GAALMNA
SCHEMBL6065016 0.72 KMT2A (0.33) SMN1; SMN2LMNAMAPTKMT2ARAB9A
SCHEMBL6065131 0.71 LMNA (0.40) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL6558372 0.70 POLB (0.43) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL6065740 0.69 F2 (0.41) NPC1ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL6559480 0.69 KCNN4 (0.34)
SCHEMBL6557418 0.68 HSD17B10 (0.36) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL6065097 0.68 PKM (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed