SCHEMBL3903063

SCHEMBL3903063

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SRC P12931 2/20 0.36
CLCN2 P51788 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 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 1/20 0.35

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
SCHEMBL3901476 0.86 POLB (0.40) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3903067 0.81 ADORA2A (0.42) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL2455604 0.80 MAOA (0.37) ALDH1A1MAPTKMT2ANPSR1MEN1
SCHEMBL2460048 0.79 ADORA2A (0.45) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL2455264 0.75 SRC (0.42) ALDH1A1MAPTSMN1; SMN2KMT2ASRC
SCHEMBL2453337 0.72 NPC1 (0.39) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL2456354 0.72 HPGD (0.42) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL2454751 0.71 KDM4E (0.34) SMN1; SMN2KDM4ENPSR1RAB9AL3MBTL1
SCHEMBL2454724 0.70 AR (0.39) MAPTSMN1; SMN2KMT2ASRCMEN1
SCHEMBL2454556 0.68 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E

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