SCHEMBL24670943

SCHEMBL24670943

COc1cc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.52
HTR1B P28222 2/20 0.52
HTR2A P28223 2/20 0.52
MAPT P10636 6/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
USP30 Q70CQ3 1/20 0.46
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL29803679 0.91 LMNA (0.50) HTR1DHTR1BHTR2AMAPTLMNA
SCHEMBL24670245 0.91 LMNA (0.50) HTR1DHTR1BHTR2AMAPTLMNA
SCHEMBL24669461 0.86 NAMPT (0.45) MAPTSMN1; SMN2L3MBTL1TP53THRB
SCHEMBL24670621 0.85 CHRM1 (0.57) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL24669307 0.85 LMNA (0.51) HTR1DHTR1BHTR2AMAPTLMNA
SCHEMBL24670886 0.84 NPY2R (0.52) HTR1DHTR1BHTR2AMAPTLMNA
SCHEMBL9332403 0.80 HTR1D (0.58) HTR1DHTR1BHTR2AMAPTLMNA
SCHEMBL24670647 0.80 LMNA (0.53) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL27202624 0.79 L3MBTL1 (0.56) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL24670246 0.79 NAMPT (0.47) MAPTHTTL3MBTL1USP30F13A1

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