SCHEMBL7700875

SCHEMBL7700875

CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 6/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
HTR1A P08908 3/20 0.46
HTR7 P34969 3/20 0.46
PDE4B Q07343 1/20 0.46
PDE7A Q13946 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TACR3 P29371 1/20 0.45
NPY2R P49146 1/20 0.44
HTT P42858 2/20 0.44

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 0.92 MEN1 (0.55) MEN1KMT2APOLBNPSR1LMNA
SCHEMBL7701767 0.84 POLB (0.53) MEN1KMT2APOLBLMNATSHR
SCHEMBL7697994 0.80 IKBKB (0.44) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7696239 0.80 KMT2A (0.55) MEN1KMT2APOLBNPSR1LMNA
SCHEMBL7701990 0.79 IKBKB (0.46) LMNASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL7695134 0.78 L3MBTL1 (0.48) MEN1KMT2AMAPTTP53NPC1
SCHEMBL7699623 0.77 AVPR2 (0.46) MEN1KMT2APOLBNPSR1LMNA
SCHEMBL7700263 0.76 TP53 (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL30106352 0.75 TACR3 (0.51) MEN1KMT2APOLBNPSR1LMNA
SCHEMBL7694358 0.75 RXFP1 (0.41) MEN1KMT2APOLBSMN1; SMN2MAPT

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