SCHEMBL3266445

SCHEMBL3266445

CN(C(=O)CC#N)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.45
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
FOLH1 Q04609 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.40
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.39
APP P05067 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9819089 0.83 KCNH2 (0.40) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL9818809 0.83 DRD4 (0.43) POLQKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL15650622 0.83 PPIB (0.43) KDM4EALDH1A1RAB9AMAPTLMNA
SCHEMBL11209904 0.82 KMT2A (0.52) POLQALDH1A1RAB9ALMNAKMT2A
SCHEMBL9819119 0.82 POLQ (0.48) POLQLMNASMN1; SMN2
SCHEMBL2086812 0.81 GPBAR1 (0.40) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL9819029 0.79 GPBAR1 (0.42) LMNAKMT2A
SCHEMBL8443795 0.78 POLQ (0.49) POLQKDM4EGAAFOLH1HSD17B10
SCHEMBL13041524 0.78 POLQ (0.49) POLQKDM4EGAAFOLH1HSD17B10
SCHEMBL2088005 0.78 MAPT (0.40) GAAALDH1A1RAB9AMAPTLMNA

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-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed