SCHEMBL27991297

SCHEMBL27991297

C=CCc1ccc2c(Br)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ GABRA1 P14867 3/20 0.41
▸ GABRB2 P47870 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PPARA Q07869 1/20 0.39
▸ SLC9A1 P19634 1/20 0.38
▸ CYP3A4 P08684 4/20 0.38

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
SCHEMBL31347600 0.84 SLC9A1 (0.42) MEN1KMT2AGAAAKR1B1SLC9A1
SCHEMBL9715147 0.84 SLC9A1 (0.42) MEN1KMT2AGAAAKR1B1SLC9A1
SCHEMBL3220497 0.81 XDH (0.43) XDHMAPTALDH1A1MEN1KMT2A
SCHEMBL11804437 0.79 ALDH1A1 (0.44) XDHMAPTALDH1A1MEN1KMT2A
SCHEMBL15255826 0.79 XDH (0.55) XDHMAPTALDH1A1MEN1KMT2A
SCHEMBL16487290 0.79 ALDH1A1 (0.48) XDHMAPTALDH1A1MEN1KMT2A
SCHEMBL30083985 0.79 ALDH1A1 (0.48) XDHMAPTALDH1A1MEN1KMT2A
SCHEMBL4703026 0.78 SLC9A1 (0.41) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL15352105 0.77 SLC9A1 (0.44) MEN1KMT2AGAAKDM4EAKR1B1
SCHEMBL8732557 0.77 SLC9A1 (0.41) MEN1KMT2AGAAKDM4EAKR1B1

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-104193581-A Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO 2014-12-10 — — CN disclosed
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