SCHEMBL19903067

SCHEMBL19903067

C=N/C(CC)=C(F)\C=N/CN1CCN(C(=O)c2ccccc2N/N=C\C=N)CCO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19903078 0.71 LMNA (0.38) LMNAMAPTKMT2AALDH1A1TP53
SCHEMBL12025040 0.67 RXFP1 (0.46) LMNAMAPTKMT2AALDH1A1NPSR1
SCHEMBL16453477 0.64 TSHR (0.47) LMNAMAPTKMT2AALDH1A1TSHR
SCHEMBL17856314 0.63 PARP1 (0.40) MAPTKMT2AALDH1A1TSHR
SCHEMBL19902996 0.62 KMT2A (0.52) LMNAMAPTKMT2AALDH1A1NPSR1
SCHEMBL17724395 0.61 NPSR1 (0.56) LMNAMAPTKMT2AALDH1A1NPSR1
SCHEMBL19902931 0.61 HCRTR1 (0.39) MAPT
SCHEMBL17863848 0.60 NPSR1 (0.40) KMT2ANPSR1TSHR
SCHEMBL22383524 0.60 GBA1 (0.33) ALDH1A1TP53TSHR
SCHEMBL22877134 0.59 KDM4E (0.45) LMNAMAPTKMT2AALDH1A1TP53

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-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed