SCHEMBL7523743

SCHEMBL7523743

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.46
ALDH1A1 P00352 7/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
AGTR1 P30556 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
MCL1 Q07820 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
ALOX12 P18054 1/20 0.46
TLR9 Q9NR96 1/20 0.46
XBP1 P17861 1/20 0.40
POLB P06746 4/20 0.40
MEN1 O00255 1/20 0.40

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 SCHEMBL7519436 0.93 MAPT (0.47) MAPTALDH1A1LMNAHTTCYP2C19
SCHEMBL7523742 0.81 KMT2A (0.38) MAPTALDH1A1LMNAHTTCYP2C19
Hydrochloric Acid SCHEMBL7519432 0.80 KMT2A (0.36) MAPTALDH1A1LMNAHTTGAA
SCHEMBL7523739 0.74 RAB9A (0.38) MAPTALDH1A1LMNAHTTCYP2C19
Hydrochloric Acid SCHEMBL7519429 0.72 MEN1 (0.37) MAPTALDH1A1LMNAHTTCYP2C19
SCHEMBL4557464 0.72 MAPT (0.44) MAPTALDH1A1LMNAHTTHPGD
SCHEMBL5853815 0.71 KMT2A (0.51) MAPTALDH1A1LMNAHTTGAA
SCHEMBL19858933 0.70 KMT2A (0.50) MAPTALDH1A1LMNAHTTGAA
SCHEMBL6602157 0.70 CYP2C19 (0.56) ALDH1A1LMNAHTTCYP2C19GAA
SCHEMBL10826149 0.69 MAPT (0.45) MAPTALDH1A1LMNAHTTGAA

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