SCHEMBL5329033

SCHEMBL5329033

Cc1ccc(Nc2nccs2)cc1OCc1ccoc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.49
LMNA P02545 3/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3049813 0.74 PLA2G7 (0.52) PLA2G7LMNAMEN1KMT2AALDH1A1
SCHEMBL20529581 0.72 PLA2G7 (0.70) PLA2G7LMNAMEN1KMT2AALDH1A1
SCHEMBL5330879 0.70 PLA2G7 (0.47) PLA2G7LMNAMEN1KMT2AALDH1A1
SCHEMBL3529574 0.69 PLA2G7 (0.65) PLA2G7MEN1KMT2AALDH1A1NPC1
SCHEMBL14669893 0.69 PLA2G7 (0.65) PLA2G7LMNAMEN1KMT2AALDH1A1
SCHEMBL3038079 0.69 PLA2G7 (0.65) PLA2G7MEN1KMT2ANPC1CYP3A4
SCHEMBL5305245 0.68 PLA2G7 (0.40) PLA2G7LMNAMEN1KMT2AALDH1A1
SCHEMBL5305831 0.67 PLA2G7 (0.41) PLA2G7
SCHEMBL3051017 0.67 PLA2G7 (0.39) PLA2G7CSF1RKIT
SCHEMBL5373416 0.67 PLA2G7 (0.41) PLA2G7CSF1RKIT

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
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed