SCHEMBL10330637

SCHEMBL10330637

CNc1cccc2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cccc(NC)c41)-c1cccc(NC)c1-3)c1cccc(NC)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EGFR P00533 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL10330636 0.79 UTS2R (0.46) TDP1MAPK1SMN1; SMN2MAPTL3MBTL1
SCHEMBL24733266 0.77 CYP1A2 (0.38) MAPK1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL24733280 0.77 MEN1 (0.34) TDP1RAB9AMEN1KMT2ATHRB
SCHEMBL24733282 0.77 MEN1 (0.34) TDP1RAB9AMEN1KMT2ATHRB
SCHEMBL11351451 0.75 MEN1 (0.39) TDP1MEN1KMT2AUSP2KEAP1
SCHEMBL8742321 0.75
SCHEMBL12200945 0.74 CDK4 (0.37) TDP1MAPK1RAB9ASMN1; SMN2EGFR
SCHEMBL8997093 0.74 PTGES (0.36) MAPK1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7964918 0.74 PTGES (0.36) TDP1MAPK1MEN1KMT2AUSP2
SCHEMBL13464453 0.74 AURKA (0.33) TDP1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221657-B2 Near infrared absorbing phthalocyanines and their use BASF SE (DE) 2012-07-17 US disclosed
US-20110236642-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE PERI FRANCESCA 2011-09-29 US disclosed
EP-2118115-B1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE BASF SE (DE) 2010-08-11 EP disclosed
US-20100032608-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA CORPORATION (US) 2010-02-11 US disclosed
US-20100032608-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA CORPORATION (US) 2010-02-11 US disclosed
WO-2008083918-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA HOLDING INC. (CH) 2008-07-17 WO disclosed