SCHEMBL13089941

SCHEMBL13089941

Cc1cccc(N(c2ccccc2)c2ccc(-c3cc4c5cccc(-c6ccc(N(c7ccccc7)c7cccc(C)c7)cc6)c5ccc4c4ccccc34)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
USP2 O75604 3/20 0.33
CRHR1 P34998 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 2/20 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
SCHEMBL10128665 0.96 HSD17B1 (0.35) ALDH1A1USP2CRHR1HPGDALOX15
SCHEMBL14200069 0.96 HSD17B1 (0.35) ALDH1A1USP2CRHR1HPGDALOX15
SCHEMBL25786556 0.92 HSD17B1 (0.35) ALDH1A1USP2CRHR1HSD17B1HSD17B2
SCHEMBL13089942 0.91 CRHR1 (0.39) ALDH1A1USP2CRHR1MEN1KMT2A
SCHEMBL25786577 0.89 HSD17B1 (0.37) ALDH1A1USP2CRHR1HPGDHSD17B1
SCHEMBL30523273 0.87 HSD17B1 (0.35) ALDH1A1USP2CRHR1HSD17B1HSD17B2
SCHEMBL18433942 0.87 HSD17B1 (0.41) ALDH1A1USP2HPGDALOX15HSD17B1
SCHEMBL12433944 0.85 HSD17B1 (0.35) ALDH1A1USP2HPGDALOX15HSD17B1
SCHEMBL12433938 0.85 HSD17B1 (0.35) ALDH1A1USP2HPGDALOX15HSD17B1
SCHEMBL16438004 0.85 HSD17B1 (0.43) ALDH1A1USP2HPGDALOX15HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100259163-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-14 US disclosed
US-20100259163-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-14 US disclosed