SCHEMBL3713050

SCHEMBL3713050

O=C(O)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(N2CCN(c3ncccn3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ USP2 O75604 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ HTT P42858 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ FFAR1 O14842 1/20 0.40

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
SCHEMBL3717996 0.75 PTP4A3 (0.46) FFAR1KMOHAO1
SCHEMBL3709987 0.74 POLB (0.45) TSHRHPGDKDM4EHTTHSD17B10
SCHEMBL3720512 0.70 FFAR1 (0.46) KDM4EGLAALDH1A1GAAFFAR1
SCHEMBL3793712 0.69 PIM1 (0.39) FFAR1HAO1
SCHEMBL3719717 0.69 MAPT (0.41) ALDH1A1FFAR1SLC6A7MAPTSMN1; SMN2
SCHEMBL27950423 0.69 FFAR1 (0.55) KDM4EALDH1A1GAAFFAR1KMO
SCHEMBL3717851 0.68 ALDH1A1 (0.40) ALDH1A1NPC1RAB9A
SCHEMBL3714675 0.68 PTGER4 (0.42) FFAR1HAO1
SCHEMBL3796092 0.68 DHODH (0.40) KDM4EHTTALDH1A1LMNAFFAR1
SCHEMBL3714118 0.68 HDAC6 (0.43) ALDH1A1LMNAFFAR1HAO1

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