SCHEMBL24670693

SCHEMBL24670693

Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 3/20 0.49
ALDH1A1 P00352 1/20 0.49
BACE1 P56817 3/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NAMPT P43490 1/20 0.48
GPR119 Q8TDV5 3/20 0.46
PDK2 Q15119 1/20 0.46

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
SCHEMBL29803595 1.00 MAPT (0.54) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL24670765 0.91 KMT2A (0.60) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL24670794 0.87 SMN1; SMN2 (0.51) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL29803695 0.87 SMN1; SMN2 (0.51) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL29803554 0.87 SMN1; SMN2 (0.53) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL24670882 0.87 SMN1; SMN2 (0.53) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL29803543 0.85 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL24669340 0.85 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL13460146 0.85 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL28695431 0.84 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2ACYP2C19

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