SCHEMBL6543648

SCHEMBL6543648

CCCCC(CC)COCCCNc1cccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c12)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
RGS12 O14924 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 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
SCHEMBL9181704 0.81 UTS2R (0.46) UTS2RMAPTALDH1A1LMNAHTT
SCHEMBL9182220 0.81 UTS2R (0.46) UTS2RMAPTALDH1A1LMNAHTT
SCHEMBL27970335 0.81 ALDH1A1 (0.36) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL27970441 0.81 ALDH1A1 (0.34) MAPTALDH1A1LMNACYP3A4MAPK1
SCHEMBL6543749 0.80 ALDH1A1 (0.45) UTS2RMAPTALDH1A1LMNAHTT
SCHEMBL9181233 0.79 PDE5A (0.42) UTS2RMAPTALDH1A1HTTKDM4E
SCHEMBL27970315 0.79 ALDH1A1 (0.34) MAPTALDH1A1LMNACYP3A4MAPK1
SCHEMBL27970314 0.79 ALDH1A1 (0.34) MAPTALDH1A1LMNACYP3A4MAPK1
SCHEMBL11698485 0.78 ALDH1A1 (0.46) MMP9MMP8MMP14MAPTALDH1A1
SCHEMBL27970263 0.78 ALDH1A1 (0.33) MAPTALDH1A1LMNACYP3A4MAPK1

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
EP-1375600-A1 Phthalocyanine compound, near infrared absorbing dye and heat ray shielding Nippon Shokubai Co., Ltd. (JP) 2004-01-02 EP disclosed