SCHEMBL9045738

SCHEMBL9045738

Cc1sc(-c2ccc(Nc3ccccc3)cc2)c(C)c1C1=C(c2c(C)sc(-c3ccc(Nc4ccccc4)cc3)c2C)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.34
ALOX12 P18054 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 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
SCHEMBL1043494 0.87 GRM6 (0.36) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL20702041 0.81 GRM6 (0.34) ALDH1A1MAPTGAAHPGDTDP1
SCHEMBL14838298 0.77 GRM6 (0.37) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3852637 0.77 GRM6 (0.41) ALDH1A1MAPTHPGDPTGS2KDM4E
SCHEMBL3855828 0.76 PLA2G10 (0.34) ALDH1A1NPC1RAB9ALMNAHPGD
SCHEMBL1535945 0.74 PGR (0.32) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3851690 0.71 ESR1 (0.30)
SCHEMBL3859659 0.70 GRM6 (0.34) ALDH1A1MAPTGAAHPGDNPSR1
SCHEMBL15591055 0.69 KMT2A (0.36) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL22607736 0.67

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
JP-8134063-A None JP disclosed
JP-H08134063-A PERFLUOROCYCLOPENTENE DERIVATIVE, PHOTOCHROMIC MATERIAL, OPTICAL RECORDING MEDIUM AND OPTICAL RECORDING MITA IND CO LTD 1996-05-28 JP disclosed