Toluene

Toluene

SCHEMBL27791508

Cc1ccccc1.O=CC1CCCCN1c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.41
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SLC18A3 Q16572 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28468815 0.92 FFAR1 (0.41) FFAR1MAOAMAOBPPARGKMT2A
SCHEMBL27969751 0.92 FFAR1 (0.41) FFAR1MAOAMAOBPPARGKMT2A
Benzene SCHEMBL28327725 0.92 FFAR1 (0.41) FFAR1MAOAMAOBPPARGKMT2A
SCHEMBL27992544 0.91 FFAR1 (0.40) FFAR1MAOAMAOBKMT2ASLC18A3
SCHEMBL23064587 0.87 FFAR1 (0.46) FFAR1PPARGKMT2AL3MBTL1
SCHEMBL8000795 0.84 FFAR1 (0.51) FFAR1PPARGKMT2AHTTMEN1
SCHEMBL570426 0.84 USP30 (0.39) FFAR1KMT2AHTTMEN1L3MBTL1
SCHEMBL27583257 0.80 CHRNB2 (0.36) FFAR1MAOAMAOBKMT2AMEN1
Ammonia Solution, Strong SCHEMBL28319822 0.78 KMT2A (0.41) FFAR1KMT2A
SCHEMBL28763683 0.76 TDP1 (0.37) FFAR1KMT2A

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-101815713-A Polycyclic compounds EISAI R&D MAN CO LTD 2010-08-25 — — CN disclosed
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