SCHEMBL11395013

SCHEMBL11395013

O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c(Cl)cccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.68
▸ HDAC1 Q13547 3/20 0.56
▸ HDAC2 Q92769 2/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ PTGES O14684 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.53
▸ PPARG P37231 2/20 0.53
▸ NCOA2 Q15596 2/20 0.53
▸ CSNK2A2 P19784 2/20 0.52
▸ CSNK2A1 P68400 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52

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
SCHEMBL11392061 0.91 RXFP1 (0.68) RXFP1HDAC1HDAC2HDAC3HDAC4
SCHEMBL11390674 0.90 RXFP1 (0.66) RXFP1PTGESKDM4EPPARGNCOA2
SCHEMBL11396688 0.89 RXFP1 (0.65) RXFP1HDAC1HDAC2PTGESKDM4E
SCHEMBL11397899 0.89 RXFP1 (0.72) RXFP1HDAC1HDAC2PTGESKDM4E
SCHEMBL11392290 0.89 RXFP1 (0.65) RXFP1HDAC1HDAC2HDAC3HDAC4
SCHEMBL11395337 0.86 RXFP1 (0.72) RXFP1HDAC1HDAC2HDAC3HDAC4
SCHEMBL11387887 0.86 RXFP1 (0.62) RXFP1HDAC1HDAC2HDAC3HDAC4
SCHEMBL11397081 0.86 RXFP1 (0.65) RXFP1HDAC1HDAC2PTGESKDM4E
SCHEMBL17318585 0.85 NPC1 (0.61) RXFP1HDAC1HDAC2HDAC3HDAC4
SCHEMBL11398957 0.83 TP53 (0.65) RXFP1KDM4EPPARGNCOA2RAB9A

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
US-4271166-A N-(1,3,4-Thiadiazol-2-yl)benzamides ELI LILLY AND COMPANY (US) 1981-06-02 — — US disclosed
US-4141984-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-02-27 — — US disclosed
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