SCHEMBL20860587

SCHEMBL20860587

C/C=C/c1ccnc(C)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.61
APLNR P35414 1/20 0.42
NOS2 P35228 1/20 0.38
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KDR P35968 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL25403351 0.82
SCHEMBL6502190 0.81 GRM4 (0.59) GRM4HDAC6KDM4EALDH1A1HPGD
SCHEMBL31029406 0.78 GRM4 (0.56) GRM4HDAC6KDM4EALDH1A1HPGD
SCHEMBL22917316 0.78 GRM4 (0.56) GRM4HDAC6KDM4EALDH1A1HPGD
SCHEMBL23957242 0.77 GRM4 (0.39) GRM4APLNRNOS2HDAC6KDM4E
SCHEMBL33532921 0.76 GRM4 (0.54) GRM4HDAC6KDM4EALDH1A1HPGD
SCHEMBL1717209 0.76
SCHEMBL6627221 0.76
SCHEMBL1879643 0.76
SCHEMBL6913009 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922137-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL FUJIFILM CORP (JP) 2019-04-03 EP disclosed