SCHEMBL7698104

SCHEMBL7698104

COc1ccc(C)cc1NC(=O)c1nc(-c2ccccc2-c2ccccc2)oc1-c1ccc(N(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.42
GPR35 Q9HC97 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7701239 0.91 MAPT (0.60) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7699719 0.90 MAPT (0.46) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL7698114 0.84 MAPT (0.48) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7699148 0.84 MAPT (0.48) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7699604 0.81 MAPT (0.47) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7701479 0.81 HSP90AA1 (0.54) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7695132 0.80 MAPT (0.49) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7699621 0.80 MAPT (0.59) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7699090 0.80 MAPT (0.40) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL7694375 0.80 HSD17B10 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A

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