SCHEMBL11087477

SCHEMBL11087477

O=C(Nc1nnn[nH]1)c1cccc2c1oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ GRM5 P41594 2/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37

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
SCHEMBL12892209 0.80 MAPT (0.52) HDAC8SMN1; SMN2KDM4ERAB9ALMNA
SCHEMBL11021664 0.79 MAOB (0.36) GRM5SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL10372228 0.78 NPC1 (0.55) SMN1; SMN2KDM4ERAB9ALMNANPC1
SCHEMBL11074319 0.77 CSNK2A2 (0.59) SMN1; SMN2RAB9ALMNANPC1ALDH1A1
SCHEMBL11105640 0.76 KDM4E (0.60) SMN1; SMN2KDM4ERAB9ALMNANPC1
SCHEMBL11415277 0.75 CFTR (0.37) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL976167 0.75 HDAC8 (0.59) HDAC1HDAC8HDAC6SMN1; SMN2KDM4E
SCHEMBL516118 0.75 ALOX5 (0.52) HDAC1HDAC8HDAC6KDM4ELMNA
SCHEMBL10371019 0.75 TSHR (0.54) SMN1; SMN2KDM4ERAB9ALMNANPC1
SCHEMBL2662445 0.74 ALPL (0.61) SMN1; SMN2KDM4ERAB9ANPC1HPGD

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-4432986-A N-(TETRAZOL-5-YL)-(DIBENZOTHIOPHENE-, OR DIBENZOFURAN-, OR 1,3-BEZODIOXOLE-, OR NAPHTHALENE-)-4-CARBOXAMIDE RIKER LABORATORIES, INC. (US) 1984-02-21 — — US claimed
US-4432986-A N-(TETRAZOL-5-YL)-(DIBENZOTHIOPHENE-, OR DIBENZOFURAN-, OR 1,3-BEZODIOXOLE-, OR NAPHTHALENE-)-4-CARBOXAMIDE RIKER LABORATORIES, INC. (US) 1984-02-21 — — US disclosed
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