SCHEMBL18320581

SCHEMBL18320581

COC(=O)c1cc(-c2nnn[nH]2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 3/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
PKM P14618 2/20 0.56
PLIN1 O60240 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.56
PLIN5 Q00G26 1/20 0.56
MCL1 Q07820 1/20 0.56
ABHD5 Q8WTS1 1/20 0.56
DHODH Q02127 1/20 0.56
TP53 P04637 4/20 0.52
PLA2G2A P14555 3/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL18320677 0.86 KDM4E (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL14518623 0.83 MEN1 (0.72) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL4562712 0.80 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1HPGD
Bromide SCHEMBL4383984 0.80 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2576382 0.79 KDM4E (0.76) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL14518625 0.78 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL733469 0.77 GAA (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10000743 0.76 CYP1A2 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL30604241 0.75 TACR3 (0.66) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL19508777 0.74 TACR3 (0.65) MEN1KMT2AKDM4EALDH1A1HPGD

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
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed