SCHEMBL24671448

SCHEMBL24671448

Cc1cc(C2=CCN(C(=N)N)CC2)ccc1C(=O)Nc1ccc(C2=CCN(C(=N)N)CC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 7/20 0.46
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MCL1 Q07820 1/20 0.41
NAMPT P43490 3/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
QDPR P09417 1/20 0.39
HTR1D P28221 1/20 0.39
SLC6A4 P31645 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
SCHEMBL29803020 1.00 TMPRSS2 (0.46) TMPRSS2MAPTALDH1A1KMT2AKDM4E
SCHEMBL24671353 0.92 TMPRSS2 (0.43) TMPRSS2MAPTALDH1A1KMT2AKDM4E
SCHEMBL24670801 0.90 TMPRSS2 (0.45) TMPRSS2MAPTALDH1A1KMT2AKDM4E
SCHEMBL29803034 0.89 TRPV1 (0.47) TMPRSS2MAPTNAMPTMMP2MMP3
SCHEMBL29803743 0.89 ALDH1A1 (0.46) TMPRSS2MAPTALDH1A1KMT2AKDM4E
SCHEMBL29802922 0.87 TMPRSS2 (0.53) TMPRSS2MAPTNAMPTHTR1DSLC6A4
SCHEMBL24670713 0.87 TMPRSS2 (0.57) TMPRSS2MAPTKMT2ANAMPTPOLB
SCHEMBL29803740 0.87 TMPRSS2 (0.57) TMPRSS2MAPTKMT2ANAMPTPOLB
SCHEMBL24670219 0.87 TMPRSS2 (0.58) TMPRSS2NAMPT
SCHEMBL29803093 0.87 TMPRSS2 (0.58) TMPRSS2NAMPT

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
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed