SCHEMBL24671330

SCHEMBL24671330

COc1cc(NC(=O)c2ccc(N3CCN(C(=N)N)CC3)c(F)c2)ccc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 6/20 0.46
HTR1D P28221 4/20 0.44
SLC6A4 P31645 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CHRM1 P11229 1/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTR1B P28222 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HTR2A P28223 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL24670255 0.91 TMPRSS2 (0.45) TMPRSS2L3MBTL1CHRM1MAPTKMT2A
SCHEMBL24669609 0.91 TMPRSS2 (0.45) TMPRSS2L3MBTL1CHRM1MAPTKMT2A
SCHEMBL29803211 0.91 TMPRSS2 (0.51) TMPRSS2HTR1DSLC6A4MAPTSMN1; SMN2
SCHEMBL24671177 0.91 TMPRSS2 (0.51) TMPRSS2HTR1DSLC6A4MAPTSMN1; SMN2
SCHEMBL29803358 0.87 TMPRSS2 (0.47) TMPRSS2HTR1DSLC6A4L3MBTL1CHRM1
SCHEMBL24670238 0.86 TMPRSS2 (0.46) TMPRSS2HTR1DSLC6A4MAPTSMN1; SMN2
SCHEMBL24669461 0.86 NAMPT (0.45) L3MBTL1CHRM1MAPTSMN1; SMN2TP53
SCHEMBL24670920 0.86 CHRM1 (0.53) TMPRSS2L3MBTL1CHRM1MAPTSMN1; SMN2
SCHEMBL24671463 0.85 TMPRSS2 (0.49) TMPRSS2HTR1DSLC6A4CHRM1MAPT
SCHEMBL24670178 0.84 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4MAPTKMT2A

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 3 patents. 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 claimed
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
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