SCHEMBL6613610

SCHEMBL6613610

CC(=O)Nc1sc(Br)cc1C#N.CC(=O)Nc1sccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CRHBP P24387 1/20 0.43

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
SCHEMBL4088527 0.89 GAA (0.43) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4088792 0.86 RECQL (0.57) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6616220 0.78 RECQL (0.50) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6610678 0.78 CHEK1 (0.40) ALDH1A1KDM4EMAPTALOX15LMNA
SCHEMBL14679555 0.73 TRPA1 (0.40) —
SCHEMBL28009247 0.72 KMT2A (0.59) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL3510937 0.72 SMN1; SMN2 (0.61) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL10653177 0.70 SMN1; SMN2 (0.56) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL5803807 0.70 SMN1; SMN2 (0.56) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL8351467 0.69 ALDH1A1 (0.44) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 — — EP disclosed
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