SCHEMBL14280271

SCHEMBL14280271

COC1=CC(=CN=Nc2ccc(C)cc2[N+](=O)[O-])C=C(OC)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 5/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PMM2 O15305 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ TYR P14679 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MCOLN3 Q8TDD5 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPGD P15428 2/20 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
SCHEMBL14280250 0.88 KMT2A (0.38) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL14306732 0.87 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL14305215 0.84 TYR (0.34) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL14280256 0.84 VCAM1 (0.41) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL14280246 0.84 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL14280268 0.83 KMT2A (0.44) ALDH1A1MEN1KMT2ACYP1A2TSHR
SCHEMBL14280270 0.74 TYR (0.46) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL14280245 0.73 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL14280247 0.72 KMT2A (0.45) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL14280242 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2TSHR

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
US-7314692-B2 Phenylazomethylene-cyclohexadienone derivatives comprising electron withdrawing group and electrophotographic photoreceptor comprising the derivatives SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-01 — — US disclosed
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