SCHEMBL4707979

SCHEMBL4707979

COC(=O)Oc1cc2c(OC)cccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.59
MTNR1B P49286 5/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
RCE1 Q9Y256 1/20 0.56
FLT3 P36888 2/20 0.53
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL27891891 0.88 MTNR1A (0.56) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL3410314 0.88 FLT3 (0.53) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL10930614 0.79 MTNR1A (0.56) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL23836099 0.78 KMT2A (0.77) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL217459 0.77 FLT3 (0.66) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL38659928 0.76 FLT3 (0.71) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL913914 0.75 FLT3 (0.68) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL29414307 0.75 FLT3 (0.68) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL7979026 0.75 FLT3 (0.68) MTNR1AMTNR1BKMT2AMEN1RCE1
SCHEMBL24020782 0.75 KMT2A (0.65) MTNR1AMTNR1BKMT2AMEN1RCE1

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
EP-1625129-B1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2008-03-05 EP disclosed
EP-1625129-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
WO-2004099212-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed