SCHEMBL2579252

SCHEMBL2579252

O=C(NC1CCCC1OCc1ccccc1)C1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
MERTK Q12866 7/20 0.39
AXL P30530 6/20 0.39
MET P08581 1/20 0.39
TYRO3 Q06418 1/20 0.39
P2RX7 Q99572 1/20 0.39
PKM P14618 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL2400337 0.89 LMNA (0.45) MAPK1TSHRSMN1; SMN2MERTKAXL
SCHEMBL2400321 0.89 LMNA (0.45) MAPK1TSHRSMN1; SMN2MERTKAXL
SCHEMBL6413448 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1MEN1KMT2APOLB
SCHEMBL2401835 0.86 MERTK (0.42) ALDH1A1MAPTMERTKAXLMET
SCHEMBL2401891 0.86 MEN1 (0.42) ALDH1A1MEN1KMT2AMERTKAXL
SCHEMBL2400825 0.86 POLB (0.41) ALDH1A1POLBSMN1; SMN2MERTKAXL
SCHEMBL2402565 0.85 MERTK (0.42) ALDH1A1MERTKAXLMETTYRO3
SCHEMBL2403325 0.84 KCNA5 (0.51) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6411128 0.82 MERTK (0.44) MERTKAXLMETTYRO3P2RX7
SCHEMBL2403572 0.82 KMT2A (0.41) ALDH1A1MEN1KMT2AGAASMN1; SMN2

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
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed