SCHEMBL16655434

SCHEMBL16655434

CC1CN(c2cc[c]c([N+](=O)[O-])c2)CC(C)N1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
GHSR Q92847 9/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL589356 0.77 SIRT6 (0.55) MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL28989562 0.75 MAPT (0.51) KMT2AMAPTSMN1; SMN2NPSR1L3MBTL1
SCHEMBL589217 0.74 MAPT (0.38) KMT2AMAPTALDH1A1SIGMAR1
SCHEMBL28891048 0.73 CHRNA7 (0.45) KMT2AMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1044823 0.73 HTT (0.61) HTTKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL1044822 0.73 HTT (0.61) HTTKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL1399606 0.73 HTT (0.61) HTTKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL6189229 0.72 MAPT (0.54) KMT2AMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL23122152 0.72 SIRT6 (0.60) HTTKMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL16654439 0.72 KMT2A (0.50) HTTKMT2AMAPTSMN1; SMN2NPSR1

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-3057943-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed