SCHEMBL2581596

SCHEMBL2581596

O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)c3ccc(SC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NAMPT P43490 4/20 0.37
USP7 Q93009 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
PSMD14 O00487 1/20 0.36
STAMBP O95630 1/20 0.36
COPS5 Q92905 1/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 2/20 0.35
CHRM4 P08173 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6409445 0.86 USP7 (0.36) HPGDALDH1A1SMN1; SMN2NAMPTUSP7
SCHEMBL2400885 0.86 ABL1 (0.46) HPGDALDH1A1SMN1; SMN2NAMPTNPC1
SCHEMBL2401319 0.84 SMN1; SMN2 (0.41) HPGDALDH1A1SMN1; SMN2NAMPTUSP7
SCHEMBL2402433 0.83 CHRM4 (0.41) NAMPTEPHX1EPHX2CHRM4
SCHEMBL2403261 0.82 HTR1A (0.45) ALDH1A1KDM4E
SCHEMBL2401978 0.80 RAB9A (0.45) HPGDALDH1A1NPC1RAB9AEPHX2
SCHEMBL6409614 0.80 EPHX2 (0.39) HPGDALDH1A1SMN1; SMN2USP7NPC1
SCHEMBL2575305 0.78 SMN1; SMN2 (0.45) HPGDALDH1A1SMN1; SMN2TSHREPHX2
SCHEMBL2402651 0.78 HPGD (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2401308 0.77 HPGD (0.41) HPGDALDH1A1SMN1; SMN2TSHRKDM4E

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 claimed