SCHEMBL8204965

SCHEMBL8204965

NCC(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
ALDH1A1 P00352 4/20 0.52
HTR2A P28223 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 2/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45

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 SCHEMBL10687747 0.98 LOXL2 (0.53) LOXL2ALDH1A1HTR2ATAAR1LMNA
SCHEMBL701757 0.83 ALDH1A1 (0.50) LOXL2ALDH1A1HTR2ATAAR1LMNA
SCHEMBL18833848 0.82 LOXL2 (0.53) LOXL2ALDH1A1TDP1TSHRCYP1A2
SCHEMBL942066 0.82 LOXL2 (0.53) LOXL2ALDH1A1TDP1TSHRCYP1A2
Hydrochloric Acid SCHEMBL1820970 0.80 LOXL2 (0.52) LOXL2ALDH1A1TDP1TSHRCYP1A2
Hydrochloric Acid SCHEMBL11740245 0.80 LOXL2 (0.52) LOXL2ALDH1A1TDP1TSHRCYP1A2
SCHEMBL334438 0.80 ALDH1A1 (0.68) LOXL2ALDH1A1TAAR1TDP1TSHR
SCHEMBL4942727 0.80 ALDH1A1 (0.68) LOXL2ALDH1A1TAAR1TDP1TSHR
SCHEMBL6554390 0.80 LOXL2 (0.52) LOXL2ALDH1A1TAAR1TDP1TSHR
SCHEMBL7150447 0.80 ALDH1A1 (0.68) LOXL2ALDH1A1TAAR1TDP1TSHR

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
US-6150335-A TREATMENT FOR PAIN ASTRA AB (SE) 2000-11-21 US disclosed
EP-0946588-A1 USE OF DIPEPTIDE DERIVATIVES Astra Aktiebolag (publ) (SE) 1999-10-06 EP disclosed
WO-1998028327-A1 NEW USE OF DIPEPTIDE DERIVATIVES ASTRA AKTIEBOLAG (PUBL) (SE) 1998-07-02 WO disclosed