SCHEMBL5500714

SCHEMBL5500714

O=[N+]([O-])C1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ANPEP P15144 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PLAU P00749 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL17974767 0.86 PLAU (0.47) ANPEPCA1CA2PLAU
SCHEMBL7567926 0.86 PLAU (0.47) ANPEPCA1CA2PLAU
SCHEMBL11742887 0.82 TSHR (0.41) IDO1ALDH1A1ANPEPCA1CA2
SCHEMBL8557409 0.77 NISCH (0.40) MEN1KMT2A
SCHEMBL5657816 0.70 CYP2A6 (0.44) ALDH1A1MAPT
SCHEMBL7471519 0.70 IDO1 (0.33) IDO1ALDH1A1LMNAKDM4EMEN1
SCHEMBL6689884 0.69 KDM1A (0.39)
SCHEMBL6031591 0.67 MEN1 (0.33) ALDH1A1LMNAKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL8690420 0.67 KDM1A (0.50) ANPEP
SCHEMBL28454918 0.67 HTR2A (0.48) ANPEP

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-1791555-A1 METHODS FOR TREATING LOCAL TRACHEAL, BRONCHIAL OR ALVEOLAR BLEEDING OR HEMOPTYSIS Pharmaorigin APS (DK) 2007-06-06 EP disclosed
WO-2006026998-A1 METHODS FOR TREATING LOCAL TRACHEAL, BRONCHIAL OR ALVEOLAR BLEEDING OR HEMOPTYSIS PHARMAORIGIN APS (DK) 2006-03-16 WO disclosed