SCHEMBL12347492

SCHEMBL12347492

CC(C)(C)c1ccc(C(=O)C(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NR1H4 Q96RI1 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ DHPS P49366 1/20 0.36
▸ SERPINE1 P05121 1/20 0.36
▸ RAPGEF3 O95398 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ POLB P06746 2/20 0.35

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
SCHEMBL10223674 0.82 CCR9 (0.51) SMN1; SMN2MEN1KMT2A
SCHEMBL12161641 0.77 RAB9A (0.56) SMN1; SMN2MEN1KMT2ANR1H4PPARG
SCHEMBL10223755 0.72 CCR9 (0.56) —
SCHEMBL10223762 0.71 CCR9 (0.52) —
SCHEMBL10223752 0.71 CCR9 (0.52) ALDH1A1
SCHEMBL10305623 0.70 SERPINE1 (0.44) SMN1; SMN2NR1H4PPARGMAPTTP53
SCHEMBL306094 0.70 HSD17B2 (0.52) MEN1KMT2AMAPTALDH1A1
SCHEMBL305811 0.70 CCR9 (0.53) —
SCHEMBL10223660 0.70 CCR9 (0.53) —
SCHEMBL307943 0.70 BDKRB1 (0.51) —

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-2354126-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2011-08-10 — — EP disclosed
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