SCHEMBL24671070

SCHEMBL24671070

CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.50
WNT3A P56704 1/20 0.45
KIT P10721 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CDK7 P50613 1/20 0.39
CDK13 Q14004 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PDK4 Q16654 1/20 0.39
HTR6 P50406 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL24671267 0.92 NAMPT (0.49) NAMPTWNT3AKITGPR119CDK7
SCHEMBL24669223 0.90 NAMPT (0.61) NAMPTWNT3AKITGPR119CDK7
SCHEMBL24670226 0.86 NAMPT (0.57) NAMPTWNT3AKITSMN1; SMN2HDAC1
SCHEMBL24892276 0.86 NAMPT (0.57) NAMPTWNT3AKITSMN1; SMN2HDAC1
SCHEMBL24670346 0.85 NAMPT (0.48) NAMPTWNT3AKITSMN1; SMN2MEN1
SCHEMBL30182548 0.85 NAMPT (0.54) NAMPTWNT3AKITSMN1; SMN2HDAC1
SCHEMBL24669232 0.84 NAMPT (0.39) NAMPTWNT3AKITHDAC1HDAC6
SCHEMBL29803669 0.84 NAMPT (0.39) NAMPTWNT3AKITHDAC1HDAC6
SCHEMBL29803758 0.83 NAMPT (0.48) NAMPTWNT3AKITSMN1; SMN2HDAC1
SCHEMBL24670971 0.83 WNT3A (0.47) NAMPTWNT3AKITGPR119MAPT

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