SCHEMBL14280268

SCHEMBL14280268

Cc1ccc(N=NC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ PMM2 O15305 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ GPR35 Q9HC97 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NFKBIA P25963 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ RELA Q04206 1/20 0.32

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
SCHEMBL14280242 0.88 ALDH1A1 (0.40) KMT2AALDH1A1MEN1CYP1A2TSHR
SCHEMBL14306621 0.87 ALDH1A1 (0.36) KMT2AALDH1A1MEN1CYP1A2MAPT
SCHEMBL14280243 0.84 VCAM1 (0.41) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL14280240 0.84 SMN1; SMN2 (0.41) KMT2AALDH1A1MEN1CYP1A2MAPT
SCHEMBL14280271 0.83 ALDH1A1 (0.44) KMT2AALDH1A1MEN1CYP1A2TSHR
SCHEMBL13580425 0.81 PTPRC (0.40) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13580843 0.79 NPC1 (0.33) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13580329 0.77 KMT2A (0.39) KMT2AALDH1A1MEN1CYP1A2TSHR
SCHEMBL13580331 0.77 KMT2A (0.34) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL14280269 0.76 NPC1 (0.37) KMT2AALDH1A1MAPTNPC1MAPK1

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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