SCHEMBL10477449

SCHEMBL10477449

COC(=O)c1nc2ccc3cccnc3c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
SLC40A1 Q9NP59 3/20 0.46
EGLN1 Q9GZT9 3/20 0.44
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 1/20 0.43
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
MMP9 P14780 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8681504 0.83 ALDH1A1 (0.53) ALDH1A1ALOX15HTTSLC40A1EGLN1
SCHEMBL10477489 0.80 ALDH1A1 (0.51) ALDH1A1ALOX15HTTSLC40A1EGLN1
SCHEMBL3203066 0.76 EGLN1 (0.47) ALDH1A1ALOX15HTTSLC40A1EGLN1
SCHEMBL24960020 0.76 ALDH1A1 (0.60) ALDH1A1ALOX15HTTKDM4EL3MBTL1
SCHEMBL4348296 0.74 ALDH1A1 (0.62) ALDH1A1ALOX15DYRK1ADYRK1BKDM4E
SCHEMBL10477382 0.73 ALDH1A1 (0.47) ALDH1A1ALOX15HTTDYRK1ADYRK1B
SCHEMBL10477383 0.72 ALDH1A1 (0.41) ALDH1A1ALOX15HTTSLC40A1EGLN1
SCHEMBL19224594 0.71 ALDH1A1 (0.59) ALDH1A1ALOX15DYRK1ADYRK1BKDM4E
SCHEMBL28675526 0.71 HTT (0.52) ALDH1A1ALOX15HTTSLC40A1EGLN1
SCHEMBL10477389 0.70 ALOX15 (0.48) ALDH1A1ALOX15HTTSLC40A1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327052-A2 Use of quinoline derivatives for making a medicament effective in the prevention and treatment of ulcers RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-08-09 EP disclosed
US-4831040-A (IMIDAZOLO-, THIAZOLO-, OXAZOLO-)(4,5-H)-QUINOLINE RORER PHARMACEUTICAL CORPORATION (US) 1989-05-16 US disclosed
EP-0090360-B1 NEW QUINOLINE AND RELATED COMPOUNDS USEFUL AS ANTI-ALLERGY AGENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-05-18 EP disclosed
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