SCHEMBL9826558

SCHEMBL9826558

CCCCOc1ccc(CCc2ccc(N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ GFER P55789 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ CYP19A1 P11511 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL28490262 0.96 NPC1 (0.56) RAB9ANPC1TDP1TSHRGFER
SCHEMBL8942775 0.91 MEN1 (0.59) RAB9ANPC1TDP1TSHRKDM4E
SCHEMBL112238 0.90 TSHR (0.67) RAB9ANPC1TDP1TSHRKDM4E
SCHEMBL8942880 0.90 MEN1 (0.61) RAB9ANPC1TSHRKDM4ELMNA
SCHEMBL30639145 0.88 NPC1 (0.63) RAB9ANPC1TDP1TSHRGFER
SCHEMBL20997517 0.88 MEN1 (0.64) RAB9ANPC1TDP1TSHRKDM4E
SCHEMBL5391230 0.87 MAOB (0.62) RAB9ANPC1TDP1TSHRKDM4E
SCHEMBL1047171 0.86 HTR2A (0.62) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL11667261 0.86 NR5A1 (0.62) RAB9ANPC1TSHRLMNAMEN1
SCHEMBL294772 0.86 NR5A1 (0.62) RAB9ANPC1TDP1TSHRKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 — — EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 — — US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 — — EP disclosed
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