SCHEMBL23316236

SCHEMBL23316236

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(Br)nc2C(N)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
KMT2A Q03164 1/20 0.47
STS P08842 8/20 0.45
GPR119 Q8TDV5 2/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL29658016 0.82 PTPN2 (0.50) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL22701140 0.82 PTPN2 (0.50) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL23316233 0.81 PTPN2 (0.56) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL26664390 0.78 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL30496080 0.78 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL7714103 0.78 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3181308 0.78 PTPN2 (0.62) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL388631 0.77 PTPN2 (0.69) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL5579013 0.77 PTPN2 (0.59) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3186189 0.77 PTPN2 (0.56) PTPN2PTPN1PTPN6NPC1RAB9A

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
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US disclosed
EP-3816160-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY Reborna Biosciences, Inc. (JP) 2021-05-05 EP disclosed