SCHEMBL7697995

SCHEMBL7697995

CC1CCN(C(=O)c2nc(-c3ccc(C(C)(C)C)cc3)oc2-c2cccc(N(C)C)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.40
LMNA P02545 3/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LPAR5 Q9H1C0 1/20 0.38
HPGD P15428 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
ITK Q08881 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL7699727 0.91 IKBKB (0.42) IKBKBLMNASMN1; SMN2HPGDNPC1
SCHEMBL7697060 0.88 IKBKB (0.40) IKBKBLMNASMN1; SMN2ABL1BCR
SCHEMBL7699558 0.87 IKBKB (0.42) IKBKBLMNATHRBSMN1; SMN2HPGD
SCHEMBL7700386 0.87 RAB9A (0.42) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL7701523 0.86 L3MBTL1 (0.49) IKBKBLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL7699252 0.85 IKBKB (0.39) IKBKBSMN1; SMN2ABL1BCR
SCHEMBL7693907 0.84 MEN1 (0.51) LMNASMN1; SMN2ALDH1A1KCNH2MCHR1
SCHEMBL7699803 0.83 NPC1 (0.44) LMNASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL7693997 0.82 ATM (0.47) LMNATHRBSMN1; SMN2GAAALDH1A1
SCHEMBL7695157 0.82 IKBKB (0.48) IKBKBHPGDNPC1RAB9AALDH1A1

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