SCHEMBL28801025

SCHEMBL28801025

O=[N+]([O-])c1cnccc1NCl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HTT P42858 4/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.54
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
CHUK O15111 1/20 0.39
POLB P06746 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 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
SCHEMBL9469139 0.81 ALDH1A1 (0.61) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL30239656 0.81 ALDH1A1 (0.61) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL27755590 0.81 ALDH1A1 (0.61) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL186601 0.81 ALDH1A1 (0.61) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL16657372 0.79 ALDH1A1 (0.82) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL28212317 0.79 ALDH1A1 (0.58) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL23852951 0.77 ALDH1A1 (0.56) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL16657375 0.77 ALDH1A1 (0.70) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL16657359 0.77 ALDH1A1 (0.56) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL28570276 0.77 ALDH1A1 (0.56) ALDH1A1HTTRAB9AMEN1KMT2A

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
CN-102884063-A Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV 2013-01-16 CN disclosed