SCHEMBL7523742

SCHEMBL7523742

Cc1cc(NC(C)O)c([N+](=O)[O-])c2cc3ccccc3nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 8/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 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 SCHEMBL7519432 0.87 KMT2A (0.36) KMT2AMEN1RAB9AMAPTL3MBTL1
SCHEMBL7523743 0.81 MAPT (0.46) KMT2AMEN1RAB9AMAPTLMNA
Hydrochloric Acid SCHEMBL7519436 0.78 MAPT (0.47) KMT2AMEN1MAPTLMNAGAA
SCHEMBL7523739 0.73 RAB9A (0.38) KMT2AMEN1RAB9AMAPTL3MBTL1
SCHEMBL4557465 0.72 CDK5 (0.37) KMT2AMEN1RAB9AMAPTL3MBTL1
SCHEMBL5853815 0.72 KMT2A (0.51) KMT2AMEN1RAB9AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL7519429 0.71 MEN1 (0.37) KMT2AMEN1RAB9AMAPTL3MBTL1
SCHEMBL19858933 0.70 KMT2A (0.50) KMT2AMEN1RAB9AMAPTL3MBTL1
SCHEMBL7716965 0.70 KMT2A (0.54) KMT2AMEN1RAB9AMAPTL3MBTL1
SCHEMBL11644580 0.68 ALDH1A1 (0.38) KMT2AMEN1RAB9AMAPTLMNA

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