SCHEMBL27353793

SCHEMBL27353793

CCC1(CC)c2cc(Cl)ccc2NC(C=O)N1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.36
▸ AKR1B1 P15121 3/20 0.35
▸ HTR7 P34969 5/20 0.34
▸ TDO2 P48775 2/20 0.34
▸ TGM2 P21980 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PGR P06401 2/20 0.32
▸ CES1 P23141 1/20 0.32
▸ CBX7 O95931 1/20 0.32
▸ CDYL2 Q8N8U2 1/20 0.32
▸ CDYL Q9Y232 1/20 0.32
▸ CDY1; CDY1B Q9Y6F8 1/20 0.32
▸ MAP3K14 Q99558 1/20 0.32
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL27364305 0.78 IDO1 (0.33) IDO1AKR1B1HTR7
SCHEMBL27372550 0.78 MEN1 (0.34) IDO1AKR1B1HTR7MEN1KMT2A
SCHEMBL27373077 0.75 AKR1B1 (0.33) IDO1AKR1B1MEN1KMT2APGR
SCHEMBL27372553 0.74 AKR1B1 (0.33) IDO1AKR1B1PGR
SCHEMBL9539756 0.72 AKR1B1 (0.56) IDO1AKR1B1HTR7TGM2MEN1
SCHEMBL27357835 0.69 PGR (0.35) PGR
SCHEMBL27373629 0.67 F11 (0.33) MEN1KMT2A
SCHEMBL27458359 0.67 PGR (0.48) PGR
SCHEMBL28775357 0.64 HTR2C (0.33) PGRCBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL28805368 0.62 KDM4E (0.38) IDO1TDO2TGM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071917-A Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist MERCK & CO INC (US) 1993-05-12 — — CN disclosed
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