SCHEMBL13683752

SCHEMBL13683752

O=C(Nc1ccc(OCCn2ccnc2)cc1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.61
TBXAS1 P24557 12/20 0.57
KMT2A Q03164 2/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL13683753 0.84 LMNA (0.50) KMT2AJAK2JAK1TYK2LMNA
SCHEMBL13683424 0.83 NOS1 (0.56) NOS1TBXAS1KMT2AMEN1LMNA
SCHEMBL13683761 0.79 HRH3 (0.54) KMT2AATM
SCHEMBL8686274 0.78 NOS1 (1.00) NOS1TBXAS1KMT2AMEN1LMNA
SCHEMBL10928050 0.73 TBXAS1 (1.00) TBXAS1KMT2AMEN1LMNA
SCHEMBL10747686 0.73 TBXAS1 (1.00) TBXAS1KMT2AMEN1LMNA
SCHEMBL10751356 0.73 TBXAS1 (0.79) TBXAS1KMT2AMEN1LMNA
SCHEMBL3863181 0.72 TRPV1 (0.44) NOS1TBXAS1LMNA
SCHEMBL8685446 0.72 NOS1 (1.00) NOS1TBXAS1KMT2AMEN1LMNA
SCHEMBL6476742 0.72 TBXAS1 (0.59) TBXAS1KMT2AMEN1LMNA

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
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed