SCHEMBL24669442

SCHEMBL24669442

CCOc1cc(NC(=O)c2ccc(C3=CCN(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
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 5/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX12 P18054 1/20 0.40
NR4A1 P22736 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PLAU P00749 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL24671177 0.91 TMPRSS2 (0.51) TMPRSS2KMT2ATP53MAPTSMN1; SMN2
SCHEMBL29803211 0.91 TMPRSS2 (0.51) TMPRSS2KMT2ATP53MAPTSMN1; SMN2
SCHEMBL29803214 0.88 TMPRSS2 (0.52) TMPRSS2KCNQ3KCNQ2TRPV1MAPT
SCHEMBL24669458 0.88 TMPRSS2 (0.48) TMPRSS2TRPV1CCNT1CDK9KMT2A
SCHEMBL24670819 0.87 TMPRSS2 (0.44) TMPRSS2TRPV1
SCHEMBL24671332 0.86 NAMPT (0.46) KCNQ3KCNQ2TRPV1CCNT1CDK9
SCHEMBL29803204 0.86 TMPRSS2 (0.52) TMPRSS2TRPV1KMT2AMAPTPOLB
SCHEMBL24671270 0.86 TMPRSS2 (0.52) TMPRSS2TRPV1KMT2AMAPTPOLB
SCHEMBL24669447 0.84 TMPRSS2 (0.48) TMPRSS2MAPTALOX15SMN1; SMN2ALDH1A1
SCHEMBL24671330 0.84 TMPRSS2 (0.46) TMPRSS2KMT2ATP53MAPTSMN1; SMN2

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