SCHEMBL28512873

SCHEMBL28512873

COC(=O)n1ccc2ccc(OC)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.46
AKR1C3 P42330 1/20 0.45
MTNR1B P49286 6/20 0.41
TUBB1 Q9H4B7 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7387221 0.78 FGFR4 (0.44)
SCHEMBL7988808 0.77 TUBB1 (0.60) MTNR1AAKR1C3MTNR1BTUBB1HTR2C
SCHEMBL9922460 0.76 TXNRD1 (0.46) MTNR1AMTNR1BHTR2CKDM4E
SCHEMBL30297606 0.69 TFPI2 (0.57) MTNR1AAKR1C3MTNR1BTUBB1HTR2C
SCHEMBL28409121 0.69 MTNR1A (0.55) MTNR1AMTNR1BTUBB1HTR2CKDM4E
SCHEMBL5569918 0.69 TFPI2 (0.57) MTNR1AAKR1C3MTNR1BTUBB1HTR2C
SCHEMBL19382614 0.69 CYP1A2 (0.61) MTNR1AKDM4E
SCHEMBL29083460 0.69 CYP3A4 (0.40) MTNR1AAKR1C3MTNR1BTUBB1KDM4E
SCHEMBL2118635 0.68 ALDH1A1 (0.55) KDM4E
SCHEMBL6400993 0.68 MTNR1A (0.55) MTNR1ATUBB1KDM4E

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-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed