SCHEMBL3903067

SCHEMBL3903067

COc1ccc(Nc2c(C#N)c(C#N)c(Cl)c(Sc3ccccc3)c2Sc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM1A O60341 1/20 0.40
RAD52 P43351 1/20 0.40
GFER P55789 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 6/20 0.39
KDM4E B2RXH2 5/20 0.39
GAA P10253 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL2460048 0.95 ADORA2A (0.45) ADORA2AADORA2BPOLBKMT2AKDM1A
SCHEMBL2455604 0.88 MAOA (0.37) ADORA2AADORA2BKMT2AHTTMAPT
SCHEMBL3901477 0.86 ADORA2A (0.42) ADORA2AADORA2BPOLBKMT2AKDM1A
SCHEMBL3903063 0.81 POLB (0.40) POLBKMT2AMAPTKDM4EGAA
SCHEMBL3889951 0.81 ADORA2A (0.45) ADORA2AADORA2BPOLBKMT2AKDM1A
SCHEMBL2453337 0.81 NPC1 (0.39) POLBKMT2AMAPTKDM4EGAA
SCHEMBL2458727 0.79 ADORA2A (0.45) ADORA2AADORA2BPOLBKMT2AKDM1A
SCHEMBL2453530 0.76 LTA4H (0.41) ADORA2AADORA2BPOLBKMT2AHTT
SCHEMBL2453573 0.75 MAPT (0.38) POLBKMT2AHTTMAPTKDM4E
SCHEMBL2456519 0.74 HSD11B1 (0.37) ADORA2APOLBKMT2AHTTMAPT

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