SCHEMBL12809276

SCHEMBL12809276

Cc1cccc(N(c2ccc(-c3sc(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c([N+](=O)[O-])c3[N+](=O)[O-])cc2)c2cccc(C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CRHBP P24387 1/20 0.40
ATM Q13315 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPX4 P36969 1/20 0.38
HSD17B1 P14061 4/20 0.37
HSD17B2 P37059 4/20 0.37
HPRT1 P00492 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 3/20 0.34

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
SCHEMBL14066318 0.84 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL6848547 0.78 ALDH1A1 (0.66) TSHRACHEMEN1KMT2AALDH1A1
SCHEMBL21797206 0.77 MEN1 (0.39) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL14066320 0.76 ALDH1A1 (0.36) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL28468407 0.76 ALDH1A1 (0.72) TSHRACHEMEN1KMT2AALDH1A1
SCHEMBL4098035 0.75 HSD17B1 (0.47) TSHRACHEMEN1KMT2AALDH1A1
SCHEMBL13809109 0.75 HSD17B1 (0.47) TSHRACHEMEN1KMT2AALDH1A1
SCHEMBL728283 0.73 ACHE (0.52) TSHRACHEMEN1KMT2AALDH1A1
SCHEMBL4518120 0.73 ACHE (0.52) TSHRACHEMEN1KMT2AALDH1A1
SCHEMBL21797203 0.73 MEN1 (0.43) MEN1KMT2AALDH1A1CRHBPATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680481-B1 NEW COMPOUND CAPABLE OF BEING USED IN ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2011-03-02 EP disclosed
US-7427445-B2 Compound capable of being used in organic layer of organic light emitting device LG CHEM, LTD. (KR) 2008-09-23 US disclosed
US-7427445-B2 Compound capable of being used in organic layer of organic light emitting device LG CHEM, LTD. (KR) 2008-09-23 US disclosed