SCHEMBL17772002

SCHEMBL17772002

CC(=O)C1C(c2ccc(Cl)cc2)C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.44
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.41
ABCC1 P33527 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL10743254 0.86 SLC9A1 (0.46) SLC9A1KMT2AGAAMAPTMAPK1
SCHEMBL10491406 0.86 SLC9A1 (0.44) SLC9A1KMT2AGAAMAPTMAPK1
SCHEMBL11395709 0.86 SLC9A1 (0.44) SLC9A1KMT2AGAAMAPTMAPK1
SCHEMBL10743257 0.86 SLC9A1 (0.46) SLC9A1KMT2AGAAMAPTMAPK1
SCHEMBL10743245 0.86 SLC9A1 (0.46) SLC9A1KMT2AGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL11395714 0.85 SLC9A1 (0.45) SLC9A1KMT2AGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL10491421 0.85 SLC9A1 (0.45) SLC9A1KMT2AGAAMAPTMAPK1
SCHEMBL15977340 0.84 SLC9A1 (0.44) SLC9A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL20076696 0.82 GAA (0.44) SLC9A1KMT2AGAAMAPTMAPK1
SCHEMBL18927360 0.82 SLC9A1 (0.62) SLC9A1KMT2AMAPTMAPK1MEN1

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
EP-2670731-B1 POSITIVE ALLOSTERIC MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AND USES THEREOF. BIONOMICS LTD (AU) 2016-05-25 EP disclosed