SCHEMBL29987151

SCHEMBL29987151

CC(C)(C)OC(=O)Nc1ccc(N2CC(O)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.52
PRKDC P78527 1/20 0.46
MAPT P10636 4/20 0.44
CYP17A1 P05093 2/20 0.44
CD274 Q9NZQ7 1/20 0.43
PSMB8 P28062 1/20 0.42
DRD2 P14416 1/20 0.42
LIPE Q05469 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
RORC P51449 1/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL29986622 0.81 PRKDC (0.49) NAMPTPRKDCMAPTCYP17A1CD274
SCHEMBL993933 0.80 GAA (0.64) NAMPTMAPTDRD2SMN1; SMN2MEN1
SCHEMBL8346062 0.80 PRKDC (0.63) PRKDCMAPTCD274SMN1; SMN2TP53
SCHEMBL13055402 0.79 CYP17A1 (0.59) NAMPTCYP17A1PSMB8DRD2LIPE
SCHEMBL23961145 0.79 MAPT (0.48) NAMPTPRKDCMAPTSMN1; SMN2TP53
SCHEMBL30817405 0.79 MAPT (0.50) NAMPTPRKDCMAPTCD274PSMB8
SCHEMBL6503210 0.79 MAPT (0.50) NAMPTPRKDCMAPTCD274SMN1; SMN2
SCHEMBL3573442 0.79 GPR119 (0.50) NAMPTPRKDCMAPTSMN1; SMN2GAA
SCHEMBL3369741 0.78 ALDH1A1 (0.55) NAMPTPRKDCMAPTCD274DRD2
SCHEMBL30817330 0.78 GPR119 (0.48) NAMPTPRKDCMAPTCD274SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022251224-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2022-12-01 WO disclosed