SCHEMBL3711250

SCHEMBL3711250

O=C(Nc1cccnc1)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3cccnc3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ GRM5 P41594 2/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL3714241 0.92 HDAC6 (0.41) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL3719958 0.89 TSHR (0.48) TSHRMEN1KMT2AALDH1A1HTT
SCHEMBL3710834 0.88 KDM4E (0.45) TSHRGRM5MEN1KMT2AALDH1A1
SCHEMBL3714333 0.87 HDAC1 (0.49) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL13188001 0.87 LMNA (0.49) TSHRMEN1KMT2AALDH1A1HTT
SCHEMBL3719635 0.87 ABL1 (0.41) —
SCHEMBL3709347 0.87 PTGES (0.42) GRM5ALDH1A1LMNAACACBHIF1A
SCHEMBL13188474 0.86 CAMK2D (0.47) GRM5MEN1KMT2ALMNAMAPT
SCHEMBL13188263 0.85 HDAC6 (0.42) GRM5ALDH1A1LMNAHIF1A
SCHEMBL3709438 0.85 HIF1A (0.42) KMT2AALDH1A1CYP11B1CYP11B2LMNA

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
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