SCHEMBL7523739

SCHEMBL7523739

CCN(O)c1cc(C)c2nc3ccccc3cc2c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 6/20 0.35
RXFP1 Q9HBX9 2/20 0.35
SMARCA2 P51531 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 2/20 0.35
HTT P42858 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
LMNA P02545 3/20 0.34
RAD52 P43351 2/20 0.34
UHRF1 Q96T88 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
Hydrochloric Acid SCHEMBL7519429 0.91 MEN1 (0.37) RAB9AMEN1KMT2ATSHRALDH1A1
SCHEMBL7523743 0.74 MAPT (0.46) RAB9AMEN1KMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL7519432 0.74 KMT2A (0.36) RAB9AMEN1KMT2ATSHRALDH1A1
SCHEMBL7523742 0.73 KMT2A (0.38) RAB9AMEN1KMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL7519436 0.72 MAPT (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5853815 0.72 KMT2A (0.51) RAB9AMEN1KMT2ATSHRALDH1A1
SCHEMBL19858933 0.70 KMT2A (0.50) RAB9AMEN1KMT2ATSHRALDH1A1
SCHEMBL7716965 0.70 KMT2A (0.54) RAB9AMEN1KMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL7709064 0.68 TLR8 (0.46) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL18095057 0.68 TSHR (0.59) RAB9AMEN1KMT2ATSHRALDH1A1

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-1257538-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2002-11-20 EP disclosed
WO-2001060801-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2001-08-23 WO disclosed