SCHEMBL4966792

SCHEMBL4966792

CCOc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.59
▸ KDM4E B2RXH2 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ PARP10 Q53GL7 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ LTB4R2 Q9NPC1 1/20 0.49
▸ FFAR1 O14842 1/20 0.49
▸ FFAR4 Q5NUL3 1/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ HCRTR2 O43614 1/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL4988323 0.86 NPC1 (0.59) KDM4EMEN1KMT2ALTB4R2FFAR1
SCHEMBL7897886 0.84 NQO1 (0.44) KDM4EMEN1KMT2APARP10PKM
SCHEMBL9453349 0.84 MEN1 (0.62) BCAT2MEN1KMT2ALTB4R2LMNA
SCHEMBL4963646 0.82 BCAT2 (0.65) BCAT2KDM4EMEN1KMT2APARP10
SCHEMBL4964238 0.82 PARP10 (0.63) BCAT2PARP10FFAR1FFAR4LMNA
SCHEMBL5878337 0.81 BCAT2 (0.87) BCAT2KDM4EMEN1KMT2ALTB4R2
SCHEMBL6013688 0.81 MKNK1 (0.51) BCAT2MEN1KMT2ALTB4R2RAB9A
SCHEMBL29618430 0.81 BCAT2 (0.54) BCAT2PARP10LTB4R2FFAR4NPC1
SCHEMBL6013603 0.79 NQO1 (0.64) KDM4EMEN1KMT2AFFAR1FFAR4
SCHEMBL30582476 0.79 BCAT2 (0.83) BCAT2KDM4EMEN1KMT2ALTB4R2

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-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 — — EP claimed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 — — WO claimed
US-4093648-A ANTIANAPHYLACTIC AGENTS RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1978-06-06 — — US disclosed
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