SCHEMBL7699623

SCHEMBL7699623

CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE4B Q07343 3/20 0.43
PDE4D Q08499 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.41
NR3C1 P04150 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7698082 0.83 AVPR1A (0.57) AVPR2MAPTALDH1A1LMNAKMT2A
SCHEMBL7701990 0.77 IKBKB (0.46) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7700875 0.77 MEN1 (0.56) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7697994 0.77 IKBKB (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7693745 0.75 IKBKB (0.53) MAPTALDH1A1KDM4ETP53
SCHEMBL7699423 0.73 AVPR2 (0.52) AVPR2MAPTALDH1A1LMNAKMT2A
SCHEMBL28059149 0.72 ALDH1A1 (0.68) AVPR2MAPTALDH1A1LMNATSHR
SCHEMBL7693982 0.72 NLRP3 (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7694392 0.70 TARBP2 (0.51) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL7695134 0.69 L3MBTL1 (0.48) MAPTKMT2AMEN1KDM4ENPC1

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