SCHEMBL4722951

SCHEMBL4722951

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.39
MAPT P10636 7/20 0.39
POLB P06746 1/20 0.39
AGTR2 P50052 4/20 0.38
AGTR1 P30556 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 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
SCHEMBL4724974 0.94 NPC1 (0.40) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL4720514 0.93 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL4724043 0.91 F10 (0.42) KMT2ASMN1; SMN2MEN1LMNAEPHX2
SCHEMBL4720454 0.88 PDE4A (0.38) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL4721102 0.87 PDE4A (0.37) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL4721953 0.87 PDE4A (0.36) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL4720922 0.87 F10 (0.39) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL4723112 0.87 PDE4A (0.39) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL4722089 0.86 PDE4A (0.36) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL4719755 0.86 MAPT (0.35) KMT2ASMN1; SMN2MEN1LMNAMAPT

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