SCHEMBL14280241

SCHEMBL14280241

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ HTT P42858 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL14280239 0.87 KMT2A (0.44) KMT2AHTTMEN1NPC1TSHR
SCHEMBL22238634 0.86 MEN1 (0.38) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL13760889 0.86 MEN1 (0.38) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL13580331 0.81 KMT2A (0.34) KMT2AMEN1NPC1ATMGPR35
SCHEMBL13580359 0.80 PTGS2 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18877788 0.80 MEN1 (0.35) KMT2AHTTMEN1SMN1; SMN2NPC1
SCHEMBL14280242 0.80 ALDH1A1 (0.40) KMT2AHTTMEN1SMN1; SMN2L3MBTL1
SCHEMBL13580425 0.80 PTPRC (0.40) KMT2AHTTMEN1L3MBTL1NPC1
SCHEMBL18877732 0.79 ATM (0.36) KMT2ASMN1; SMN2NPC1ATMGPR35
SCHEMBL18877736 0.79 ATM (0.36) KMT2ASMN1; SMN2NPC1ATMGPR35

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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