SCHEMBL28659994

SCHEMBL28659994

CC(C)c1cc(-c2ccc3ccccc3c2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.44
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GSTP1 P09211 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PDK1 Q15118 1/20 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
SCHEMBL9515026 0.87 CRHBP (0.49) HPRT1MEN1KMT2AMAOACYP1A2
SCHEMBL2955736 0.86 CASR (0.39) HPRT1CA1CA2CA9MEN1
SCHEMBL15267173 0.82 PDK1 (0.46) HPRT1MEN1KMT2ANPC1RAB9A
SCHEMBL2955956 0.78 CA1 (0.41) HPRT1CA1CA2CA9MEN1
SCHEMBL28929683 0.78 AKR1C3 (0.44) HPRT1CA1CA2CA9MEN1
SCHEMBL17548884 0.78 CA1 (0.44) HPRT1CA1CA2CA9MEN1
SCHEMBL17540910 0.77 MEN1 (0.43) HPRT1CA1CA2CA9MEN1
SCHEMBL31442416 0.77 MEN1 (0.43) HPRT1CA1CA2CA9MEN1
SCHEMBL19320106 0.76 CA1 (0.42) HPRT1CA1CA2CA9MEN1
SCHEMBL18896699 0.76 HTR2A (0.41) MEN1KMT2ANPC1RAB9ACASR

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-113582907-A Preparation method of 5-hydrogen-benzo [ B ] carbazole derivative and derivative thereof 陕西维世诺新材料有限公司 2021-11-02 — — CN disclosed
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