SCHEMBL2583571

SCHEMBL2583571

S=C1c2ccccc2C(=S)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 8/20 0.42
MAPK1 P28482 5/20 0.42
HSD17B10 Q99714 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CDC25B P30305 2/20 0.41
DCUN1D1 Q96GG9 7/20 0.41
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL16200990 0.96 ALDH1A1 (0.47) CYP2A6ALOX12ALDH1A1MAPK1HSD17B10
SCHEMBL1197982 0.84 MEN1 (0.71) ALOX12ALDH1A1MAPK1HSD17B10TSHR
SCHEMBL18873083 0.84 DCUN1D1 (0.34) CYP2A6ALOX12ALDH1A1MAPK1HSD17B10
SCHEMBL11992356 0.80 ALDH1A1 (0.54) CYP2A6ALOX12ALDH1A1MAPK1HSD17B10
SCHEMBL17115257 0.78 ALDH1A1 (0.75) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL18873214 0.75 MAPK1 (0.38) CYP2A6ALOX12ALDH1A1MAPK1HSD17B10
SCHEMBL13105930 0.75 MAOA (0.56) ALDH1A1MAPK1HSD17B10TSHRMEN1
SCHEMBL10976510 0.75 CES1 (0.56) CYP2A6ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL9095730 0.74 ALDH1A1 (0.50) CYP2A6ALOX12ALDH1A1MAPK1HSD17B10
SCHEMBL16200967 0.72 ALDH1A1 (0.55) CYP2A6ALOX12ALDH1A1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180296491-A1 NANOPARTICLE THERAPEUTICS FOR TREATING SKIN INFLAMMATORY DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-10-18 US disclosed
WO-2016176327-A1 NANOPARTICLE THERAPEUTICS FOR TREATING SKIN INFLAMMATORY DISORDERS UNIVERSITY OF ROCHESTER (US) 2016-11-03 WO disclosed
US-20160192994-A1 AEMS Compendium RUSSELL DAVID (US) 2016-07-07 US disclosed
US-20130216476-A1 USE OF AN ANTI-CD71 ANTIBODY FOR PREPARING A MEDICAMENT LFB BIOTECHNOLOGIES (FR) 2013-08-22 US disclosed
EP-2566511-A2 USE OF AN ANTI-CD71 ANTIBODY FOR PREPARING A MEDICAMENT LFB Biotechnologies (FR) 2013-03-13 EP disclosed
WO-2011138557-A2 USE OF AN ANTI-CD71 ANTIBODY FOR PREPARING A MEDICAMENT MONOCLONAL ANTIBODIES THERAPEUTICS MAT-BIOPHARMA (FR) 2011-11-10 WO disclosed
US-20070208923-A1 Array Element Mesh System devices for medical, maintenance, and other small form factor applications RUSSELL DAVID 2007-09-06 US disclosed