SCHEMBL14280240

SCHEMBL14280240

CC(C)(C)C1=CC(=CN=Nc2ccccc2[N+](=O)[O-])C=C(C(C)(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PLAU P00749 1/20 0.39
▸ CES2 O00748 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ CES1 P23141 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTPN11 Q06124 5/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCNE1 P24864 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
SCHEMBL14280268 0.84 KMT2A (0.44) KMT2AMEN1ACHENPC1RAB9A
SCHEMBL14280242 0.84 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1NPC1L3MBTL1
SCHEMBL13580416 0.83 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1CES2CES1
SCHEMBL14306621 0.83 ALDH1A1 (0.36) SMN1; SMN2KMT2AMEN1NPC1MAPT
SCHEMBL14280246 0.82 ALDH1A1 (0.42) SMN1; SMN2KMT2AMEN1PLAUCES2
SCHEMBL18877741 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL18877740 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL18877733 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL14280243 0.80 VCAM1 (0.41) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL13580425 0.79 PTPRC (0.40) KMT2AMEN1ACHECES1NPC1

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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