SCHEMBL31032191

SCHEMBL31032191

COc1c(C(=O)O)ccnc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KDM4E B2RXH2 6/20 0.41
ASPH Q12797 3/20 0.41
KDM8 Q8N371 3/20 0.41
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
KDM5A P29375 6/20 0.37
KDM5B Q9UGL1 4/20 0.37
KDM4C Q9H3R0 3/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4A O75164 2/20 0.35
NAPRT Q6XQN6 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34

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
SCHEMBL30236847 0.85 LMNA (0.44) LMNAKDM4EASPHKDM8TDP1
SCHEMBL29272402 0.84 KDM4E (0.41) LMNAKDM4EASPHKDM8TDP1
SCHEMBL1554576 0.76 LMNA (0.47) LMNAKDM4EASPHKDM8TDP1
SCHEMBL16475154 0.76 LMNA (0.47) LMNAKDM4EASPHKDM8TDP1
SCHEMBL6122624 0.76 KDM4E (0.59) LMNAKDM4EASPHKDM8TDP1
SCHEMBL17813592 0.75 LMNA (0.50) LMNAKDM4EASPHKDM8TDP1
SCHEMBL29084258 0.75 NAPRT (0.55) LMNAKDM4EASPHKDM8TDP1
SCHEMBL25405415 0.74 LMNA (0.43) LMNAKDM4EASPHKDM8TDP1
SCHEMBL29272315 0.74 PSMD14 (0.39) LMNAKDM4ETDP1KDM5AKDM4C
SCHEMBL6121797 0.71 KDM4E (0.41) LMNAKDM4EASPHKDM8TDP1

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-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed