SCHEMBL13739934

SCHEMBL13739934

O=NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
ADRA2A P08913 2/20 0.65
MEN1 O00255 2/20 0.65
LMNA P02545 1/20 0.65
CYP3A4 P08684 1/20 0.65
HTR1A P08908 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
MAOA P21397 1/20 0.65
ADRA1D P25100 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
ADRA1A P35348 1/20 0.65
DRD3 P35462 1/20 0.65
OPRK1 P41145 1/20 0.65
HTR2B P41595 1/20 0.65

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
SCHEMBL11391966 0.80 KMT2A (0.71) KMT2AADRA2AMEN1LMNACYP3A4
Guanfacine SCHEMBL35095 0.79 ADRA2A (1.00) KMT2AADRA2AMEN1LMNACYP3A4
Guanfacine SCHEMBL15603414 0.77 ADRA2A (1.00) KMT2AADRA2AMEN1LMNACYP3A4
SCHEMBL3561938 0.77 KMT2A (0.57) KMT2AADRA2AMEN1LMNACYP3A4
Guanfacine SCHEMBL1133622 0.76 ADRA2A (0.93) KMT2AADRA2AMEN1LMNACYP3A4
SCHEMBL109215 0.76 AKR1B1 (1.00) KMT2AADRA2AMEN1LMNACYP3A4
SCHEMBL11243678 0.76 AKR1B1 (0.68) KMT2AADRA2AMEN1LMNACYP3A4
SCHEMBL2525484 0.76 AKR1B1 (0.68) KMT2AADRA2AMEN1LMNACYP3A4
SCHEMBL8485672 0.75 AKR1B1 (0.55) KMT2AADRA2AMEN1LMNACYP3A4
SCHEMBL11389434 0.74 KMT2A (0.63) KMT2AADRA2AMEN1LMNACYP3A4

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-2088141-A2 Quinoline derivatives and quinazoline derivatives capable of inhibiting autophosphorylation of hepatocyte growth factor receptors, and pharmaceutical composition comprising the same Kirin Pharma Kabushiki Kaisha (JP) 2009-08-12 EP disclosed