SCHEMBL9447183

SCHEMBL9447183

CCc1ccccc1CN1C=NCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALOX5 P09917 1/20 0.33
MGLL Q99685 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPBWR1 P48145 1/20 0.32
TACR1 P25103 1/20 0.32
CYP19A1 P11511 1/20 0.32
LMNA P02545 2/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9447066 0.87 ADRA2B (0.38) KMT2ANISCHMEN1
SCHEMBL4629576 0.85 TAAR1 (0.40) KMT2AGABRA1GABRB2TAAR1
SCHEMBL9447121 0.80 MAPT (0.51) KDM4EALDH1A1KMT2ALMNATSHR
SCHEMBL9447022 0.77 HTR1A (0.46) KDM4EALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL9446985 0.77 COMT (0.37) KMT2AP2RX7LMNAMEN1MAPT
SCHEMBL30537761 0.71 CYP19A1 (0.41) KDM4EALDH1A1CYP19A1LMNACASP1
SCHEMBL30332718 0.70 CYP19A1 (0.41) KDM4EALDH1A1CYP19A1LMNACASP1
SCHEMBL13347750 0.68 ALDH1A1 (0.53) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL1964500 0.68 ALDH1A1 (0.58) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL25425763 0.67 GABRA1 (0.58) ALDH1A1MGLLLMNAGABRA1GABRB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250286-A Treatment of chronic obstructive pulmonary disease (COPD) by inhalation of an imidazoline AEGIS TECHNOLOGY, INC. (US) 1993-10-05 US disclosed
EP-0527925-A4 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE 1993-09-15 EP disclosed
EP-0527925-A1 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE AEGIS TECHNOLOGIE, INC. (US) 1993-02-24 EP disclosed
US-5096916-A Administering tolazoline AEGIS TECHNOLOGY, INC. (US) 1992-03-17 US disclosed
WO-1991016891-A1 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE AEGIS TECHNOLOGY, INC. (US) 1991-11-14 WO disclosed