SCHEMBL29953726

SCHEMBL29953726

OB(O)c1cccnc1-n1cccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MYC P01106 1/20 0.38
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 6/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
CAPN1 P07384 1/20 0.38
NOTUM Q6P988 1/20 0.37
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36

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
SCHEMBL18209362 0.77 ALDH1A1 (0.50) LMNAKDM4AKDM4BKDM5CKDM5B
SCHEMBL2172238 0.77 KDM4A (0.42) LMNAKDM4AKDM4BKDM5CKDM5B
SCHEMBL7090852 0.76 MYC (0.57) LMNAMYCHCRTR1HCRTR2KMT2A
SCHEMBL29551359 0.76 MYC (0.57) LMNAMYCHCRTR1HCRTR2KMT2A
SCHEMBL2650286 0.75 MAPK1 (0.51) LMNAHCRTR1HCRTR2KMT2AKDM4E
SCHEMBL21407089 0.75 ALDH1A1 (0.48) LMNAKDM4AKDM4BKDM5CKDM5B
SCHEMBL21407080 0.75 NOTUM (0.43) LMNAKDM4AKDM4BKDM5CKDM5B
SCHEMBL28300532 0.74 MAPK1 (0.50) LMNAKDM4AKDM4BKDM5CKDM5B
SCHEMBL16544035 0.73 HCRTR2 (0.49) LMNAMYCHCRTR1HCRTR2KMT2A
SCHEMBL952863 0.73 NOTUM (0.48) LMNAKDM4AKDM4BKDM5CKDM5B

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed