SCHEMBL6685602

SCHEMBL6685602

O=C(NC1CCCc2ccccc21)Oc1ccc2cnccc2n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
EPHX1 P07099 1/20 0.46
TAOK1 Q7L7X3 1/20 0.44

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
SCHEMBL6637965 0.95 ALDH1A1 (0.47) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL6639341 0.85 MAPK1 (0.41) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL6635678 0.83 TRPV1 (0.41) ROCK2CNR1CNR2
SCHEMBL6636985 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL5095621 0.76 ALDH1A1 (0.56) ALDH1A1TSHRPOLBKMT2AHTT
SCHEMBL6636955 0.73 ROCK2 (0.53) ROCK2
SCHEMBL15482833 0.73 KMT2A (0.66) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL12505792 0.71 HTT (0.80) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL1568062 0.71 KMT2A (0.71) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL6642854 0.70 KDM4C (0.44) ROCK2CNR1CNR2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP claimed