SCHEMBL8760221

SCHEMBL8760221

CCNC(Cc1ccccc1[N+](=O)[O-])c1sccc1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL8761001 0.88 MEN1 (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8761011 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10572912 0.78 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL9583533 0.77 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL9482717 0.74 SIGMAR1 (0.46)
SCHEMBL9425074 0.73 MAPT (0.39) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9425330 0.72 L3MBTL1 (0.38) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8761197 0.72 KMT2A (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL8945759 0.71 L3MBTL1 (0.37) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9425664 0.70 MAPK1 (0.41) ALDH1A1MEN1KMT2AMAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557305-B1 (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES ASTRA AB (SE) 1997-06-11 EP disclosed
EP-0557305-A1 (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES. FISONS CORP (US) 1993-09-01 EP disclosed
WO-1992005169-A1 (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1992-04-02 WO disclosed