SCHEMBL14306629

SCHEMBL14306629

CC1(N=Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP19A1 P11511 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.30

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
SCHEMBL14306625 0.87 KMT2A (0.45) MEN1KMT2ATSHRPOLB
SCHEMBL14315017 0.80 POLB (0.34) POLBGPR55
SCHEMBL14306628 0.76 PTPN11 (0.39) MEN1KMT2ASMN1; SMN2POLBGPR55
SCHEMBL14280241 0.74 KMT2A (0.36) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL14306622 0.73 MAPT (0.38) SMN1; SMN2POLBGPR55
SCHEMBL14315022 0.72 POLB (0.37) POLBGPR55
SCHEMBL14306626 0.69 POLB (0.37) POLBGPR55
SCHEMBL14315019 0.67 POLB (0.43) SMN1; SMN2POLBGPR55
SCHEMBL19625966 0.67 POLB (0.41) MEN1GALR3HTTKMT2ASMN1; SMN2
SCHEMBL9605456 0.62 HTT (0.55) MEN1GALR3HTTKMT2ASMN1; SMN2

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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