SCHEMBL10477489

SCHEMBL10477489

COC(=O)c1nc2c(ccc3cccnc32)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SLC40A1 Q9NP59 4/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
EGLN1 Q9GZT9 4/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
GMNN O75496 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL10477449 0.80 ALDH1A1 (0.50) ALDH1A1SLC40A1MAPTKDM4EEGLN1
SCHEMBL28675526 0.75 HTT (0.52) ALDH1A1SLC40A1MAPTKDM4EEGLN1
SCHEMBL4348292 0.74 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL1040735 0.74 DYRK1A (0.63) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL29749248 0.72 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL3398107 0.72 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL28368126 0.72 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL12020192 0.72 KDM4E (0.55) ALDH1A1SLC40A1MAPTKDM4EEGLN1
SCHEMBL4859920 0.71 LIMK1 (0.49) ALDH1A1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL27994689 0.71 PSMD14 (0.64) ALDH1A1SLC40A1MAPTKDM4EEGLN1

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 4 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
US-4698346-A Thiazolo[5,4-h]quinoline compounds useful as anti-allergy agents USV PHARMACEUTICAL CORPORATION (US) 1987-10-06 US disclosed
US-4563463-A ASTHMA USV PHARMACEUTICAL CORP. (US) 1986-01-07 US disclosed