SCHEMBL29200527

SCHEMBL29200527

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
STS P08842 7/20 0.52
GPR119 Q8TDV5 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.47

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
SCHEMBL28192443 0.86 ALDH1A1 (0.61) KMT2AKDM4EMEN1
SCHEMBL441012 0.84 KDM4E (0.62) KMT2ASTSGPR119PTPN2PTPN1
SCHEMBL14655033 0.83 MEN1 (0.63) KMT2ASTSGPR119PTPN2PTPN1
SCHEMBL8343817 0.83 KDM2B (0.51) KMT2ASTSGPR119PTPN2PTPN1
SCHEMBL14655082 0.82 KMT2A (0.54) KMT2ASTSGPR119NPC1RAB9A
SCHEMBL8346803 0.82 KDM4E (0.55) GPR119NPC1RAB9AKDM4EPKM
SCHEMBL30848494 0.82 KDM4E (0.55) GPR119NPC1RAB9AKDM4EPKM
SCHEMBL29200507 0.82 TSHR (0.66) KMT2ANPC1RAB9AMEN1
SCHEMBL5940516 0.81 STS (0.57) KMT2ASTSGPR119PTPN2PTPN1
SCHEMBL7838313 0.81 GPR119 (0.62) KMT2ASTSGPR119PTPN2PTPN1

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
CN-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed