SCHEMBL29803333

SCHEMBL29803333

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)N1CC=C(c2ccc(C(=O)Nc3ccc(C4=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(Cl)c3)s2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.37
NAMPT P43490 1/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
MCHR1 Q99705 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
JAK1 P23458 1/20 0.33
PDK4 Q16654 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24670619 0.91 TRPV1 (0.34) TRPV1NAMPTMAPTMEN1KMT2A
SCHEMBL29803544 0.91 NAMPT (0.36) TRPV1NAMPTMAPTMCHR1JAK1
SCHEMBL29803749 0.90 IMPDH2 (0.37) TRPV1NAMPTLMNAALDH1A1JAK1
SCHEMBL29803748 0.88 NAMPT (0.40) TRPV1NAMPTMAPTMEN1KMT2A
SCHEMBL29803457 0.88 NAMPT (0.47) NAMPTLMNASMN1; SMN2
SCHEMBL24671091 0.85 NAMPT (0.47) TRPV1NAMPTMAPTMEN1KMT2A
SCHEMBL29803594 0.85 NAMPT (0.47) TRPV1NAMPTMAPTMEN1KMT2A
SCHEMBL24670644 0.85 CHRM1 (0.38) TRPV1NAMPTMAPTMEN1KMT2A
SCHEMBL24670811 0.84 TRPV1 (0.39) TRPV1NAMPTMAPTMEN1KMT2A
SCHEMBL29803651 0.84 TRPV1 (0.39) TRPV1NAMPTMAPTMEN1KMT2A

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