SCHEMBL23945145

SCHEMBL23945145

c1ccc2c(-c3nc(-c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
ALOX5 P09917 1/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 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
SCHEMBL26271497 0.95 PIM1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL26047770 0.94 S1PR5 (0.36) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL26047948 0.93 F9 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL26047248 0.91 F9 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL25621454 0.90 F9 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL27251253 0.90 S1PR5 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL24473006 0.90 F9 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL21450268 0.90 ALDH1A1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL26047945 0.90 ALDH1A1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL25665060 0.89 MCL1 (0.33) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A

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-20210328149-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-10-21 US disclosed