SCHEMBL7622138

SCHEMBL7622138

S=c1nc(C2CC2)cc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL2352863 0.77 SYK (0.33) ALDH1A1HPGDPOLBMAPTHSD17B10
SCHEMBL14630025 0.71 AXL (0.39) MAPK8MAPK10
SCHEMBL6424479 0.69 JAK1 (0.38)
SCHEMBL2351446 0.69 ALOX5AP (0.35)
SCHEMBL14629978 0.69 PAK1 (0.37) POLBMAPTTSHRKDM4EHSD17B10
SCHEMBL2350377 0.68 JAK1 (0.40) MAPT
SCHEMBL16703620 0.67 HRH4 (0.41) MAPT
Thiouracil SCHEMBL3575471 0.65
SCHEMBL1608843 0.65
SCHEMBL546194 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712395-B1 PROCESS FOR THE PREPARATION OF FLUOROALKENYLTHIO HETEROCYCLIC DERIVATIVES SYNGENTA LTD (GB) 2002-05-22 EP disclosed
US-5914423-A 4-BROMO-3,4,4-TRIFLUOROBUTYL (ALKYL OR ALKYLPHENYL) SULFONATES; PREPARING 4-BROMO-1,1-DIFLUORO-BUT-1-ENE BY DEBROMOFLUORINATION OF 1,4-DIBROMO-1,1,2-TRIFLUOROBUTANE; CHEMICAL INTERMEDIATES TO NEMATICIDE PRODUCTION ZENECA, LIMITED (GB) 1999-06-22 US disclosed
US-5728833-A REACTING MERCAPTO-SUBSTITUTED HETEROCYCLIC COMPOUND WITH 4-HALO-1,1-DIFLUOROBUT-1-ENE OR 4,4-DIFLUOROBUT-3-ENYL SULFONATE ZENECA LIMITED (GB) 1998-03-17 US disclosed
US-5684011-A Pyrimidine derivatives useful as nematicides ZENECA LIMITED (GB) 1997-11-04 US disclosed
EP-0660827-B1 HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY ZENECA LTD (GB) 1997-04-16 EP disclosed
EP-0712395-A1 PROCESS FOR THE PREPARATION OF FLUOROATHENYLTHIO HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-05-22 EP disclosed
EP-0660827-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. ZENECA LTD (GB) 1995-07-05 EP disclosed
WO-1995004727-A1 PROCESS FOR THE PREPARATION OF FLUOROATHENYLTHIO HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1995-02-16 WO disclosed
WO-1994006777-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY ZENECA LIMITED (GB) 1994-03-31 WO disclosed