SCHEMBL847633

SCHEMBL847633

CC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
PABPC1 P11940 2/20 0.62
EIF4H Q15056 2/20 0.62
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
ATM Q13315 1/20 0.58
TRPV1 Q8NER1 1/20 0.56
DHPS P49366 1/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
PRSS12 P56730 1/20 0.47

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
SCHEMBL2708169 0.87 BCHE (0.56) MEN1KMT2APABPC1EIF4HRAB9A
SCHEMBL846525 0.86 MEN1 (0.64) MEN1KMT2APABPC1EIF4HRAB9A
SCHEMBL846660 0.82 NPC1 (0.56) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL846661 0.82 NPC1 (0.56) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL2707418 0.80 KDM4E (0.45) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2707298 0.78 KMT2A (0.55) MEN1KMT2APABPC1EIF4HRAB9A
SCHEMBL846056 0.78 BCHE (0.52) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL13762083 0.77 MEN1 (1.00) MEN1KMT2APABPC1EIF4HRAB9A
SCHEMBL846367 0.76 BCHE (0.48) MEN1KMT2APABPC1EIF4HL3MBTL1
SCHEMBL846204 0.76 TRPV1 (0.64) MEN1KMT2APABPC1EIF4HL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed