SCHEMBL4724974

SCHEMBL4724974

CCCC(=O)Nc1ccc(C(F)(F)F)c(-n2nc(-c3cc(OC)cc(OC)c3)c3c(c2=O)CCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TERT O14746 2/20 0.38
MAPT P10636 6/20 0.38
MTNR1B P49286 2/20 0.38
MTNR1A P48039 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
F2R P25116 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL4722951 0.94 KMT2A (0.41) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4720514 0.92 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4724043 0.89 F10 (0.42) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4721102 0.88 PDE4A (0.37) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4720454 0.87 PDE4A (0.38) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4719755 0.86 MAPT (0.35) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4722572 0.86 PDE4A (0.37) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4723445 0.86 SMN1; SMN2 (0.35) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4721953 0.85 PDE4A (0.36) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4722266 0.85 PDE4A (0.36) SMN1; SMN2LMNAMEN1KMT2AMAPT

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed