SCHEMBL9524784

SCHEMBL9524784

COc1ccc2nnc(OC(=O)NCc3ccccc3)c(O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.46
HPGDS O60760 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GSR P00390 4/20 0.45
EGFR P00533 1/20 0.45
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
PLA2G2A P14555 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SCD O00767 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL9527439 0.87 SMN1; SMN2 (0.43) NPC1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL9524448 0.85 NCEH1 (0.46) TACR3NPC1RAB9A
SCHEMBL9524845 0.84 PLA2G2A (0.41) PLA2G2AALDH1A1RAB9A
SCHEMBL9525182 0.84 GABRP (0.42) KMT2AGSRTP53PLA2G2ATAAR1
SCHEMBL9527748 0.83 SMN1; SMN2 (0.54) TACR3MEN1KMT2AEGFRNPC1
SCHEMBL9523879 0.82 GSK3B (0.53) TACR3HPGDSMEN1KMT2AKDM4E
SCHEMBL9524933 0.77 NPC1 (0.48) MEN1KMT2AKDM4ENPC1TP53
SCHEMBL9524931 0.76 FAAH (0.44) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL9523698 0.75 RAB9A (0.49) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL9525121 0.73 FLT3 (0.49) MEN1KMT2AKDM4ENPC1TP53

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-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed