SCHEMBL4685495

SCHEMBL4685495

N#CNC(=N)Nc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
P2RX7 Q99572 1/20 0.36
GRK2 P25098 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL4682179 0.79 RAB9A (0.48) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL4095279 0.75 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL4678382 0.73 MEN1 (0.49) SMN1; SMN2MAPTKMT2AMEN1HTT
Hydrochloric Acid SCHEMBL16702112 0.73 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL6614404 0.73 SMN1; SMN2 (0.37) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL11880613 0.73 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL3632175 0.72 CES2 (0.46) SMN1; SMN2POLBHTTLMNAL3MBTL1
SCHEMBL4095276 0.72 POLB (0.44) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL4678014 0.72 EGFR (0.33) KMT2AALDH1A1LMNAP2RX7CA9
SCHEMBL10384266 0.71 MEN1 (0.54) SMN1; SMN2MAPTKMT2AMEN1HTT

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-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed