SCHEMBL5199157

SCHEMBL5199157

Cc1on[c]c1-c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 2/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1679810 0.84 PTGS1 (0.44) ALDH1A1TSHRL3MBTL1LMNAMAPT
SCHEMBL15477789 0.72 NR1H4 (0.39) ALDH1A1TSHRMAPTNPSR1KDM4E
SCHEMBL8131452 0.67 ALDH1A1 (0.40) ALDH1A1L3MBTL1LMNAMAPTNPSR1
SCHEMBL8295451 0.65 L3MBTL1 (0.58) ALDH1A1TSHRL3MBTL1LMNAGAA
SCHEMBL1283334 0.64 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1LMNAGAA
SCHEMBL10394020 0.64 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1LMNAGAA
SCHEMBL1326560 0.63 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1LMNAGAA
SCHEMBL2306450 0.62 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1LMNAGAA
SCHEMBL2471569 0.61 TSHR (0.57) ALDH1A1TSHRLMNAKMT2ATDP1
SCHEMBL10163467 0.60 RAB9A (0.49) ALDH1A1TSHRL3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067131-B1 New process for the manufacture of cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2007-08-15 EP disclosed
EP-0864564-B1 Method for the preparation of alpha-bromolactam derivatives BASILEA PHARMACEUTICA AG (CH) 2002-06-12 EP disclosed
US-6384214-B1 ALKALINE CONVERSION OF PYRROLIDINYL PHOSHONIUM SALT TO YLIDE FOLLOWED BY COUPLING WITH A 5-THIA-1-AZABICYCLOOCTANE 2-ALDEHYDE; ISOMERIZATION INHIBITION BASILEA PHARMACEUTICA AG (CH) 2002-05-07 US disclosed
EP-0812846-B1 Preparation of cephem- and isooxacephem derivatives BASILEA PHARMACEUTICA AG (CH) 2001-08-16 EP disclosed
EP-1067131-A1 New process for the manufacture of cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-10 EP disclosed
US-6114541-A Method for the preparation of α-Bromo-Lactam derivatives HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
US-5919939-A Preparation of cephem and isooxacephem derivatives HOFFMANN-LA ROCHE INC. (US) 1999-07-06 US disclosed
US-5883247-A ACYLATION WITH AMINOTHIAZOLE DERIVATIVE ACTIVATED AS MIXED ANHYDRIDE OF THIOPHOSPHORIC ACID HOFFMANN-LA ROCHE INC. (US) 1999-03-16 US disclosed
EP-0879237-A1 ISOOXACEPHEM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-11-25 EP disclosed
US-5811419-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
EP-0864564-A1 Method for the preparation of alpha-bromolactam derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
EP-0812846-A1 Preparation of cephem- and isooxacephem derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-12-17 EP disclosed
WO-1997026260-A1 ISOOXACEPHEM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-24 WO disclosed