SCHEMBL14764227

SCHEMBL14764227

CC(Cl)C(=O)Nc1cccc(Br)c1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ATM Q13315 1/20 0.42
▸ TP53 P04637 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ MDM4 O15151 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ CETP P11597 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ F2R P25116 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CXCR2 P25025 3/20 0.35
▸ CXCR1 P25024 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
SCHEMBL14764293 0.77 TP53 (0.51) L3MBTL1ATMTP53GAAANPEP
SCHEMBL31722410 0.73 L3MBTL1 (0.46) L3MBTL1ATMHTTMEN1RAB9A
SCHEMBL6243373 0.71 L3MBTL1 (0.61) L3MBTL1GAAANPEPHTTRAB9A
SCHEMBL11283093 0.71 ALDH1A1 (0.66) L3MBTL1GAAANPEPHTTMEN1
SCHEMBL9850400 0.71 KDM4E (0.59) L3MBTL1GAAANPEPMEN1RAB9A
SCHEMBL1654361 0.71 EGFR (0.36) L3MBTL1ATMGAAANPEPLMNA
SCHEMBL6366669 0.70 MAOA (0.62) L3MBTL1GAAMEN1RAB9AKMT2A
SCHEMBL28063105 0.70 L3MBTL1 (0.55) L3MBTL1TP53GAAMDM4HTT
SCHEMBL27776940 0.70 ALDH1A1 (0.33) L3MBTL1ATMTP53GAAANPEP
SCHEMBL13390992 0.69 TP53 (0.65) L3MBTL1ATMTP53GAAANPEP

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-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 — — WO disclosed
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