SCHEMBL7701767

SCHEMBL7701767

COc1ccccc1N1CCN(C(=O)c2nc(-c3ccccc3)oc2-c2ccc(NC(C)=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NAMPT P43490 1/20 0.49
LMNA P02545 2/20 0.48
DRD2 P14416 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47
TACR3 P29371 1/20 0.47
MAPT P10636 5/20 0.47
TP53 P04637 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HTT P42858 2/20 0.46

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
SCHEMBL7695579 0.93 MEN1 (0.55) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL7697962 0.86 L3MBTL1 (0.56) POLBMEN1KMT2AKDM4EGAA
SCHEMBL7696239 0.86 KMT2A (0.55) POLBMEN1KMT2AKDM4EGAA
SCHEMBL7700875 0.84 MEN1 (0.56) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL7695770 0.83 MAPT (0.58) KDM4EALDH1A1NAMPTLMNANPC1
SCHEMBL7696078 0.81 KDM4E (0.54) POLBMEN1KMT2AKDM4EGAA
SCHEMBL7703340 0.80 KDM4E (0.58) POLBMEN1KMT2AKDM4EGAA
SCHEMBL7695134 0.80 L3MBTL1 (0.48) MEN1KMT2AKDM4EGAANPC1
SCHEMBL7698707 0.78 LMNA (0.53) POLBMEN1KMT2AKDM4EGAA
SCHEMBL7705257 0.78 KDM4E (0.53) POLBMEN1KMT2AKDM4EGAA

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed