SCHEMBL6984029

SCHEMBL6984029

O=[C]COc1ccc(NC(=O)Nc2cccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.72
NPC1 O15118 7/20 0.72
MAPT P10636 1/20 0.72
PKM P14618 1/20 0.72
KMT2A Q03164 7/20 0.67
MEN1 O00255 4/20 0.67
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 1/20 0.54
NOTUM Q6P988 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TSHR P16473 1/20 0.52
FLT3 P36888 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL6983615 0.84 PPARA (0.60) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL30051982 0.78 MEN1 (0.77) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL9637653 0.78 MEN1 (0.77) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL10665495 0.76 RAB9A (0.79) RAB9ANPC1MAPTPKMKMT2A
Bromide SCHEMBL29417998 0.76 MEN1 (0.74) RAB9ANPC1MAPTPKMKMT2A
Hydrochloric Acid SCHEMBL29388210 0.76 MEN1 (0.74) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL1514407 0.76 RAB9A (0.70) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL22926425 0.76 RAB9A (1.00) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL9190814 0.74 KMT2A (1.00) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL22926672 0.74 FPR2 (0.74) RAB9ANPC1MAPTPKMKMT2A

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-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed