SCHEMBL28869271

SCHEMBL28869271

Clc1ncnc(C=Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 3/20 0.48
GRM4 Q14833 5/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
PDE5A O76074 1/20 0.38
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 2/20 0.37
GRM5 P41594 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL28742482 1.00 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL29472962 0.86 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL10312043 0.80 PDE5A (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL29670513 0.80 PDE5A (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL20815523 0.80 PDE5A (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL940015 0.77 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL940017 0.77 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL17687836 0.74 GRM4 (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL17687833 0.74 GRM4 (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL466309 0.74 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2AHPGD

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
CN-109311825-A Novel 2,4,6- tri- replaces s-triazine and its preparation method and application 南京世其医药科技有限公司 2019-02-05 CN disclosed