Benzene

Benzene

SCHEMBL27921298

CCCOc1ccc2c3ccnc(C)c3n(CC(C)C)c2c1.c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.58
▸ ACHE P22303 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ HASPIN Q8TF76 5/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50

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
SCHEMBL27921179 0.93 DYRK1A (0.65) DYRK1AACHEMAOAHASPINHTR2A
Benzene SCHEMBL27939712 0.89 DYRK1A (0.73) DYRK1AACHEMAOAHASPINHTR2A
SCHEMBL27939721 0.86 DYRK1A (0.59) DYRK1AACHEMAOAHASPINHTR2A
SCHEMBL27921188 0.86 DYRK1A (0.78) DYRK1AACHEMAOAHASPINHTR2A
SCHEMBL27917524 0.81 DYRK1A (0.77) DYRK1AACHEMAOAHASPINHTR2A
SCHEMBL17502379 0.80 DYRK1A (0.80) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17102959 0.80 DYRK1A (0.84) DYRK1AMAOAHASPINHTR2AHTR2C
SCHEMBL14915781 0.80 DYRK1A (0.61) DYRK1AACHEMAOAHASPINHTR2A
SCHEMBL17502366 0.79 DYRK1A (0.78) DYRK1AHASPINHTR2AHTR2C
SCHEMBL27939882 0.79 DYRK1A (0.73) DYRK1AACHEMAOAHASPINHTR2A

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-101429198-B Banisterine derivant and uses thereof XINJIANG HUASHIDAN MEDICAMENTS RES CO LTD 2013-10-23 — — CN disclosed
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