SCHEMBL14190040

SCHEMBL14190040

c1ccc(-c2sc(-c3ccc(-c4sc(-c5ccc(-c6sc(-c7ccccc7)c7ccccc67)cc5)c5ccccc45)cc3)c3ccccc23)cc1

nearest known ligand 0.94

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
GPR3 P46089 1/20 0.39
ALOX5 P09917 3/20 0.39
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
TDO2 P48775 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
SCHEMBL6238908 0.97 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL23596172 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPK1HSD17B10BCL2L1
SCHEMBL23596749 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL23597104 0.82 L3MBTL1 (0.38) ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL23597362 0.82 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPK1HSD17B10BCL2L1
SCHEMBL23597345 0.80 GPR84 (0.39) ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL23597369 0.80 MEN1 (0.42) ALDH1A1L3MBTL1MAPTKDM4EALOX5
SCHEMBL23596344 0.80 MEN1 (0.42) ALDH1A1L3MBTL1MAPTKDM4EALOX5
SCHEMBL23596347 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPK1HSD17B10BCL2L1
SCHEMBL23596190 0.79 L3MBTL1 (0.36) ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19

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-20080100213-A1 LUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed
US-20080100213-A1 LUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed