SCHEMBL23316233

SCHEMBL23316233

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2C(N)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 2/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
STS P08842 7/20 0.45
GPR119 Q8TDV5 1/20 0.45
BACE1 P56817 3/20 0.45
POLB P06746 1/20 0.44
FPR2 P25090 2/20 0.44
FPR3 P25089 1/20 0.44

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
SCHEMBL22701155 0.95 PTPN2 (0.50) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL26664390 0.87 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL7714103 0.84 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL30496080 0.84 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL30947731 0.83 MAPT (0.46) KMT2APOLB
SCHEMBL23293802 0.83 MAPT (0.46) KMT2APOLB
SCHEMBL19385113 0.82 PTPN2 (0.52) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL22393793 0.81 AAK1 (0.49) KMT2AABL1POLB
SCHEMBL23316236 0.81 PTPN2 (0.56) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL23316332 0.81 GPR119 (0.46) GPR119BACE1FPR2FPR3

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
EP-3816160-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY Reborna Biosciences, Inc. (JP) 2021-05-05 EP disclosed