SCHEMBL24670918

SCHEMBL24670918

N=C(N)NCCOc1ccc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 4/20 0.44
NAMPT P43490 3/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
HIF1A Q16665 1/20 0.41
MCHR1 Q99705 2/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
XDH P47989 1/20 0.40
F10 P00742 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
SCHEMBL24670895 0.86 TMPRSS2 (0.44) TMPRSS2NAMPTMAPTALDH1A1SMN1; SMN2
SCHEMBL24671339 0.85 MAPT (0.41) TMPRSS2NAMPTMAPTSMN1; SMN2NPC1
SCHEMBL24667821 0.85 TMPRSS2 (0.54) TMPRSS2NAMPTMAPTALDH1A1SMN1; SMN2
SCHEMBL24669387 0.84 TMPRSS2 (0.45) TMPRSS2NAMPTMAPTALDH1A1SMN1; SMN2
SCHEMBL24891885 0.84 TMPRSS2 (0.45) TMPRSS2NAMPTMAPTALDH1A1SMN1; SMN2
SCHEMBL24891899 0.78 TMPRSS2 (0.47) TMPRSS2NAMPTMAPTALDH1A1SMN1; SMN2
SCHEMBL30181068 0.78 TMPRSS2 (0.49) TMPRSS2NAMPT
SCHEMBL24891895 0.78 TMPRSS2 (0.49) TMPRSS2NAMPT
SCHEMBL24670896 0.78 TMPRSS2 (0.46) TMPRSS2NAMPTMAPTALDH1A1SMN1; SMN2
SCHEMBL30181035 0.78 NAMPT (0.43) TMPRSS2NAMPTALDH1A1

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
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