SCHEMBL3901476

SCHEMBL3901476

COc1ccccc1Nc1c(C#N)c(C#N)c(F)c(Sc2ccccc2)c1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 8/20 0.36
ALDH1A1 P00352 7/20 0.36
GAA P10253 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK10 P53779 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
ABCG2 Q9UNQ0 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
SCHEMBL3903063 0.86 POLB (0.40) POLBMAPTALDH1A1GAANPC1
SCHEMBL3901477 0.81 ADORA2A (0.42) POLBMAPTALDH1A1GAANPC1
SCHEMBL2453615 0.80 ADORA1 (0.37) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL3889951 0.79 ADORA2A (0.45) POLBMAPTALDH1A1GAANPC1
SCHEMBL7106251 0.76 MAOA (0.48) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL2454724 0.75 AR (0.39) MAPTKMT2AMEN1CASP3CASP7
SCHEMBL2453558 0.72 ADORA1 (0.37) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL2458727 0.72 ADORA2A (0.45) POLBMAPTALDH1A1GAANPC1
SCHEMBL2453469 0.72 ALDH1A1 (0.39) POLBMAPTALDH1A1GAARAB9A
SCHEMBL2455396 0.72 HPGD (0.39) POLBMAPTALDH1A1GAAKMT2A

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-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed