SCHEMBL7653476

SCHEMBL7653476

COc1cc2nc(O)nc(O)c2c(OC(C)C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 6/20 0.40
SRC P12931 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 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
SCHEMBL11217882 0.88 GAA (0.44) SLC10A2GAAALDH1A1ALOX15HSD17B10
SCHEMBL6762248 0.78 MAPT (0.39) SLC10A2GAAALDH1A1ALOX15HSD17B10
SCHEMBL6762383 0.78 MAPT (0.39) SLC10A2GAAALDH1A1ALOX15HSD17B10
SCHEMBL6947116 0.76 PDGFRB (0.41) GAAALDH1A1ALOX15HSD17B10MAPT
SCHEMBL7652710 0.74 SLC10A2 (0.40) SLC10A2SRCGAAALDH1A1PDE4A
SCHEMBL6762661 0.72 PKM (0.45) GAAALDH1A1ALOX15HSD17B10MAPT
SCHEMBL6766348 0.72 SLC10A2 (0.46) SLC10A2GAAALDH1A1ALOX15HSD17B10
SCHEMBL10755196 0.72 PDE3B (0.53) ALDH1A1HSD17B10MAPTCYP3A4PDE3B
SCHEMBL7015217 0.70 PDGFRB (0.46) SLC10A2GAAALDH1A1ALOX15HSD17B10
SCHEMBL28114292 0.68 TUBB4A (0.47) SLC10A2GAAALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 US disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 EP disclosed