SCHEMBL14743107

SCHEMBL14743107

COC(=O)c1cc(NC(=O)c2ccncc2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ ICOSLG O75144 1/20 0.42

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
SCHEMBL14742913 0.89 RAB9A (0.49) KDM4EMAPK1HSD17B10KCNMA1ALDH1A1
SCHEMBL14743993 0.88 MAPK1 (0.56) LMNAKDM4EMAPK1KCNMA1SMN1; SMN2
SCHEMBL14743672 0.87 KCNMA1 (0.50) LMNAKDM4EMAPK1KCNMA1SMN1; SMN2
SCHEMBL14744244 0.84 MAPK8 (0.49) MAPK10ALDH1A1POLBRAB9ANPC1
SCHEMBL14744022 0.82 MAPT (0.39) LMNASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL14743986 0.81 L3MBTL1 (0.42) LMNAKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL14744278 0.81 ALDH1A1 (0.57) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL14743640 0.81 KDM4E (0.43) LMNAKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL14743299 0.79 ALDH1A1 (0.42) LMNAKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL14743883 0.78 MAPK1 (0.46) LMNAKDM4EMAPK1HSD17B10MAPK10

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-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 — — WO disclosed
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