SCHEMBL29035804

SCHEMBL29035804

COC(=O)CNC1=CCOO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 3/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TET2 Q6N021 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4751569 0.71 HSP90AB1 (0.39) KMT2AKDM4EMEN1SMN1; SMN2TSHR
SCHEMBL4719477 0.62 KMT2A (0.33) KMT2AKDM4EMEN1SMN1; SMN2TSHR
SCHEMBL16752652 0.62 POLB (0.49) KMT2AKDM4EMEN1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL11878758 0.61 KMT2A (0.32) KMT2AKDM4EMEN1SMN1; SMN2TSHR
SCHEMBL1871683 0.61 GAA (0.59) KMT2AKDM4EMEN1TSHRHSD17B10
SCHEMBL658053 0.61 LMNA (0.54) KMT2AKDM4EMEN1SMN1; SMN2TSHR
SCHEMBL9780021 0.59 KMT2A (0.57) KMT2AKDM4EMEN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL76327 0.59 LMNA (0.53) KMT2AKDM4EMEN1SMN1; SMN2TSHR
Benzene SCHEMBL28330086 0.59 LMNA (0.53) KMT2AKDM4EMEN1SMN1; SMN2TSHR
SCHEMBL9796041 0.59 MAPT (0.50) KMT2AKDM4EMEN1SMN1; SMN2GAA

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
CN-116574105-A Quinoline derivatives having indoleamine-2, 3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2023-08-11 CN disclosed
CN-110950842-B Quinoline derivatives having indoleamine-2, 3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2023-06-20 CN disclosed