SCHEMBL23566367

SCHEMBL23566367

COCn1c(NC(=O)O)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
HSD17B10 Q99714 3/20 0.59
POLB P06746 2/20 0.57
RAB9A P51151 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 7/20 0.54
LMNA P02545 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TSHR P16473 3/20 0.54
HTT P42858 4/20 0.53
TP53 P04637 3/20 0.52
USP2 O75604 1/20 0.52
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL23566424 0.90 LMNA (0.62) KDM4EHSD17B10POLBRAB9ANPSR1
SCHEMBL23566386 0.82 KDM4E (0.78) KDM4EHSD17B10POLBRAB9ANPSR1
SCHEMBL28995203 0.80 LMNA (0.56) KDM4EHSD17B10POLBRAB9ANPSR1
SCHEMBL3771751 0.77 RAB9A (0.74) KDM4EHSD17B10POLBRAB9ANPSR1
SCHEMBL21265743 0.74 EHMT2 (0.51) KDM4EHSD17B10RAB9ANPSR1CYP1A2
SCHEMBL11224973 0.73 RAB9A (0.51) KDM4EHSD17B10POLBRAB9ANPSR1
SCHEMBL8423594 0.72 CYP1A2 (1.00) KDM4EHSD17B10POLBNPSR1CYP1A2
SCHEMBL31189925 0.72 SMN1; SMN2 (0.65) KDM4EHSD17B10POLBRAB9ANPSR1
SCHEMBL23566409 0.71 KDM4E (0.80) KDM4EHSD17B10POLBRAB9ANPSR1
Hydrochloric Acid SCHEMBL7181225 0.71 KDM4E (0.67) KDM4EHSD17B10RAB9ANPSR1SMN1; SMN2

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
EP-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed