SCHEMBL28875183

SCHEMBL28875183

CN(C(=O)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GPBAR1 Q8TDU6 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALOX15 P16050 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL692996 0.83 ALDH1A1 (0.48) ALDH1A1POLBTDP1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL11842627 0.81 ALDH1A1 (0.47) ALDH1A1POLBTDP1L3MBTL1LMNA
SCHEMBL9456596 0.80 KMT2A (0.50) ALDH1A1POLBL3MBTL1LMNASMN1; SMN2
SCHEMBL12550518 0.80 POLB (0.50) ALDH1A1POLBTDP1L3MBTL1LMNA
SCHEMBL11744074 0.80 ALDH1A1 (0.43) ALDH1A1POLBTDP1L3MBTL1LMNA
SCHEMBL28220404 0.79 MAPT (0.42) MAPTSMN1; SMN2GPBAR1KMT2AKDM4E
SCHEMBL8986913 0.78 ALDH1A1 (0.48) ALDH1A1POLBTDP1L3MBTL1LMNA
SCHEMBL2095575 0.78 ALDH1A1 (0.48) ALDH1A1POLBTDP1L3MBTL1LMNA
SCHEMBL198522 0.78 FSCN1 (0.55) ALDH1A1POLBTDP1LMNACHRNB2
SCHEMBL10942532 0.77 ALDH1A1 (0.47) ALDH1A1POLBTDP1L3MBTL1LMNA

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-107987017-B - 2 (1H)-quinolinones compound of a kind of 3,4-dihydro and the preparation method and application thereof 绍兴文理学院 2019-07-12 CN disclosed