SCHEMBL3901477

SCHEMBL3901477

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
KMT2A Q03164 3/20 0.40
KDM1A O60341 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
GFER P55789 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 4/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 1/20 0.38
KDR P35968 1/20 0.38
RAF1 P04049 3/20 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
SCHEMBL3889951 0.95 ADORA2A (0.45) ADORA2AADORA2BKMT2AKDM1APOLB
SCHEMBL2458727 0.88 ADORA2A (0.45) ADORA2AADORA2BKMT2AKDM1APOLB
SCHEMBL2453615 0.88 ADORA1 (0.37) ADORA2AADORA2BKMT2AHTTMAPT
SCHEMBL3903067 0.86 ADORA2A (0.42) ADORA2AADORA2BKMT2AKDM1APOLB
SCHEMBL2460048 0.81 ADORA2A (0.45) ADORA2AADORA2BKMT2AKDM1APOLB
SCHEMBL3901476 0.81 POLB (0.40) KMT2APOLBMAPTALDH1A1KDM4E
SCHEMBL2453469 0.81 ALDH1A1 (0.39) KMT2APOLBHTTMAPTALDH1A1
SCHEMBL2453558 0.80 ADORA1 (0.37) ADORA2AADORA2BKMT2AHTTMAPT
SCHEMBL7873475 0.79 ADORA1 (0.38) ADORA2AADORA2BKMT2AHTTMAPT
SCHEMBL2452182 0.77 ADORA1 (0.35) ADORA2AADORA2BKMT2AHTTMAPT

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