SCHEMBL7697994

SCHEMBL7697994

CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCSCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.44
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL7701990 0.87 IKBKB (0.46) IKBKBHDAC6HDAC3HDAC1HDAC2
SCHEMBL7693745 0.81 IKBKB (0.53) IKBKBHDAC6HDAC3HDAC1HDAC2
SCHEMBL7700875 0.80 MEN1 (0.56) TP53MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL7697060 0.80 IKBKB (0.40) IKBKBHDAC6HDAC3HDAC1HDAC2
SCHEMBL7700016 0.77 IKBKB (0.42) IKBKBTRPV1MAPTMEN1KMT2A
SCHEMBL7699623 0.77 AVPR2 (0.46) TP53MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL7695134 0.76 L3MBTL1 (0.48) IKBKBTRPV1TP53MAPTMEN1
SCHEMBL7694392 0.75 TARBP2 (0.51) IKBKBTP53MAPTALDH1A1KMT2A
SCHEMBL7699252 0.75 IKBKB (0.39) IKBKBHDAC6HDAC3HDAC1HDAC2
SCHEMBL7698666 0.74 L3MBTL1 (0.44) IKBKBMAPTSMN1; SMN2ALDH1A1MEN1

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