SCHEMBL28929683

SCHEMBL28929683

CC(C)c1ccc([N+](=O)[O-])c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.44
▸ AKR1C2 P52895 3/20 0.44
▸ GSTP1 P09211 1/20 0.44
▸ CRHR1 P34998 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ UGT2B7 P16662 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPRT1 P00492 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL15876274 0.82 TSHR (0.50) GSTP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL28666971 0.81 ALDH1A1 (0.50) GSTP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL15876263 0.80 CYP1A2 (0.50) AKR1C3AKR1C2GSTP1ALDH1A1MEN1
SCHEMBL30239985 0.80 GSTP1 (0.53) GSTP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL28988353 0.80 GSTP1 (0.53) GSTP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL14979389 0.80 ALDH1A1 (0.61) GSTP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL13828623 0.79 CYP2A6 (0.47) GSTP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL15876273 0.79 TDP1 (0.49) AKR1C3AKR1C2GSTP1ALDH1A1TDP1
SCHEMBL28659994 0.78 HPRT1 (0.44) GSTP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL13828956 0.77 GSTP1 (0.44) GSTP1ALDH1A1TDP1MEN1KMT2A

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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