SCHEMBL10690151

SCHEMBL10690151

c1cnc2c(c1)ccc1scnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
CCR1 P32246 5/20 0.61
CCR8 P51685 5/20 0.61
CCR5 P51681 3/20 0.61
TSHR P16473 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
MMP2 P08253 2/20 0.61
ALOX15 P16050 2/20 0.61
GMNN O75496 1/20 0.61
TP53 P04637 1/20 0.61
HSP90AA1 P07900 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MMP9 P14780 1/20 0.61
NFKB1 P19838 1/20 0.61
MMP8 P22894 1/20 0.61

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
SCHEMBL5004845 0.87 CCR1 (0.50) LMNACCR1CCR8CCR5TSHR
SCHEMBL5160632 0.78 ALDH1A1 (0.46) KDM4ETDP1L3MBTL1ALDH1A1HSD17B10
Phenanthroline SCHEMBL29367277 0.78 CCR1 (1.00) LMNACCR1CCR8CCR5TSHR
Phenanthroline SCHEMBL29354015 0.78 CCR1 (1.00) LMNACCR1CCR8CCR5TSHR
Phenanthroline SCHEMBL8312 0.78 CCR1 (1.00) LMNACCR1CCR8CCR5TSHR
Phenanthroline SCHEMBL8845760 0.78 CCR1 (1.00) LMNACCR1CCR8CCR5TSHR
Phenanthroline SCHEMBL22982126 0.76 CCR1 (0.94) LMNACCR1CCR8CCR5TSHR
Phenanthroline SCHEMBL22462277 0.76 CCR1 (0.94) LMNACCR1CCR8CCR5TSHR
Phenanthroline SCHEMBL21300488 0.76 CCR1 (0.94) LMNACCR1CCR8CCR5TSHR
Phenanthroline SCHEMBL21044608 0.76 CCR1 (0.94) LMNACCR1CCR8CCR5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254179-A2 Tetrahydrobenzothiazoloquinolines, their preparation and use BOEHRINGER INGELHEIM KG (DE) 1988-01-27 EP claimed
US-4698346-A Thiazolo[5,4-h]quinoline compounds useful as anti-allergy agents USV PHARMACEUTICAL CORPORATION (US) 1987-10-06 US disclosed
US-4656281-A Imidazo quinoline compounds useful as anti-allergy agents USV PHARMACEUTICAL CORP. (US) 1987-04-07 US disclosed
US-4563463-A ASTHMA USV PHARMACEUTICAL CORP. (US) 1986-01-07 US disclosed
US-4522947-A Certain 1,3-oxazolo[4,5H]quinolines useful as anti-allergy agents USV PHARMACEUTICAL CORPORATION (US) 1985-06-11 US disclosed
EP-0090360-A2 New quinoline and related compounds useful as anti-allergy agents RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-10-05 EP disclosed