SCHEMBL7702181

SCHEMBL7702181

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCCN2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ERN1 O75460 1/20 0.41
WNT1 P04628 4/20 0.41
DYRK1A Q13627 4/20 0.41
ALDH1A1 P00352 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
AVPR1B P47901 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL7696445 0.95 ALDH1A1 (0.46) MEN1KMT2AALDH1A1AVPR1BKDM4E
SCHEMBL7700006 0.89 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7693979 0.87 IKBKB (0.42) MEN1KMT2AERN1ALDH1A1HDAC3
SCHEMBL7699627 0.85 IKBKB (0.40) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL7699727 0.82 IKBKB (0.42) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7698726 0.82 LMNA (0.47) MAPTLMNAMAPK1IKBKB
SCHEMBL7693910 0.82 NPC1 (0.45) ERN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL7695326 0.82 IKBKB (0.40) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL29158637 0.82 HPGD (0.45) MEN1KMT2AALDH1A1HDAC2HDAC8
SCHEMBL7705228 0.81 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1KDM4ELMNA

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