SCHEMBL8975491

SCHEMBL8975491

COc1ccc(C#N)c(C#N)c1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
AR P10275 7/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
PRKCQ Q04759 1/20 0.40
RAF1 P04049 2/20 0.39
MAP2K1 Q02750 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9747347 0.89 POLB (0.44) IMPDH2IMPDH1POLBGAAAR
SCHEMBL23880593 0.81 ALDH1A1 (0.52) IMPDH2IMPDH1ARMAOAMAOB
SCHEMBL4553121 0.81 POLB (0.58) IMPDH2IMPDH1POLBGAAAR
SCHEMBL8844810 0.78 AR (0.62) IMPDH2IMPDH1POLBGAAAR
SCHEMBL31650789 0.78 MEN1 (0.39) POLBGAAMAOAMAOBALDH1A1
SCHEMBL3173635 0.78 MEN1 (0.39) POLBGAAMAOAMAOBALDH1A1
SCHEMBL28137438 0.78 MEN1 (0.39) POLBGAAARMAOAMAOB
SCHEMBL28608570 0.77 AR (0.39) POLBGAAARALDH1A1KDM4E
SCHEMBL27742306 0.76 MEN1 (0.51) POLBARMAOAMAOBALDH1A1
SCHEMBL15389432 0.74 ALDH1A1 (0.52) IMPDH2IMPDH1GAAARMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398620-B1 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RES CORP (US) 1996-04-17 EP disclosed
US-5149800-A For natural or synthetic resins, especially polyolefins and polyurethane foams MILLIKEN RESEARCH CORPORATION (US) 1992-09-22 US disclosed
US-5135972-A For polymeric substrates MILLIKEN RESEARCH CORPORATION (US) 1992-08-04 US disclosed
EP-0398620-A2 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RESEARCH CORPORATION (US) 1990-11-22 EP disclosed