SCHEMBL3391548

SCHEMBL3391548

O=c1cc(C(F)(F)F)n(-c2ccccc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.41
MPI P34949 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
NOTUM Q6P988 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39

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
SCHEMBL7833292 0.72 NOTUM (0.48) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL13860451 0.72 AURKA (0.57) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL3264283 0.72 ALDH1A1 (0.50) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL31503514 0.72 MEN1 (0.50) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL27115574 0.72 LMNA (0.47) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL486072 0.71 LMNA (0.70) LMNAMEN1KMT2ACRHBPCRHR2
SCHEMBL10749180 0.71 ALDH1A1 (0.47) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL28052223 0.71 DAO (0.45) MEN1KMT2AALDH1A1TSHR
SCHEMBL10503709 0.70 LMNA (0.47) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL265945 0.69 SMN1; SMN2 (0.52) LMNAMEN1KMT2AMAPTALDH1A1

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-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed