SCHEMBL7080537

SCHEMBL7080537

C#Cc1nnn(CC(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RECQL P46063 1/20 0.38
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
CNR2 P34972 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL17686526 0.71 ALDH1A1 (0.47) MEN1KMT2ARECQLHPGDPKM
SCHEMBL24018479 0.71 MEN1 (0.44) MEN1KMT2ARECQLHPGDPKM
SCHEMBL6775540 0.71 RECQL (0.44) MEN1KMT2ARECQLHPGDPKM
SCHEMBL3742035 0.71 MEN1 (0.47) MEN1KMT2ARECQLHPGDPKM
SCHEMBL6943164 0.68 PKM (0.42) MEN1KMT2ARECQLHPGDPKM
SCHEMBL5964995 0.68 MEN1 (0.42) MEN1KMT2ARECQLHPGDPKM
SCHEMBL24666635 0.67 MEN1 (0.41) MEN1KMT2ARECQLHPGDPKM
SCHEMBL18839851 0.66 PKM (0.47) MEN1KMT2ARECQLHPGDPKM
SCHEMBL11530868 0.66 PKM (0.41) MEN1KMT2ARECQLHPGDPKM
SCHEMBL6801632 0.64 TDP1 (0.54) MEN1KMT2ARECQLHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP claimed