SCHEMBL24669641

SCHEMBL24669641

N=C(N)NCc1ccc(NC(=O)c2ncc(C3=CCN(C(=N)N)CC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
NAMPT P43490 11/20 0.37
KIT P10721 3/20 0.37
F2 P00734 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL24669387 0.86 TMPRSS2 (0.45) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891885 0.86 TMPRSS2 (0.45) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891672 0.86 NAMPT (0.43) EGLN1ALDH1A1NAMPT
SCHEMBL30181035 0.86 NAMPT (0.43) EGLN1ALDH1A1NAMPT
SCHEMBL24671535 0.86 TMPRSS2 (0.39) EGLN1NPC1ALDH1A1ALOX15RAB9A
SCHEMBL24891807 0.85 PRKAA2 (0.40) EGLN1NPC1ALDH1A1RAB9ANAMPT
SCHEMBL24892250 0.85 PRKAA2 (0.40) EGLN1NPC1ALDH1A1RAB9ANAMPT
SCHEMBL29802997 0.83 PTPN11 (0.39) EGLN1NAMPTF2JAK2JAK1
SCHEMBL24671486 0.83 MAPT (0.38) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891781 0.82 NPC1 (0.41) NPC1ALDH1A1ALOX15RAB9ASMN1; 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