SCHEMBL10173026

SCHEMBL10173026

Bc1ccc2[nH]cc(OP(=O)(O)OC)c2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.35
HTR2A P28223 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL27828889 0.71 NR4A2 (0.34) NR4A2HTR2AHTR1AHTR2CHTR2B
SCHEMBL29356973 0.71 HTR2A (0.40) NR4A2HTR2AHTR1AHTR2CHTR2B
SCHEMBL23488 0.71 HTR2A (0.40) NR4A2HTR2AHTR1AHTR2CHTR2B
SCHEMBL365787 0.70 NR4A2 (0.48) NR4A2HTR2AHTR1AHTR2CHTR2B
SCHEMBL5058499 0.70 HTR2A (0.40) NR4A2HTR2AHTR1AHTR2CHTR2B
Ammonia Solution, Strong SCHEMBL20492883 0.70 HTR2A (0.40) NR4A2HTR2AHTR1AHTR2CHTR2B
Phosphoric Acid SCHEMBL8156858 0.70 HTR2A (0.40) NR4A2HTR2AHTR1AHTR2CHTR2B
SCHEMBL31324009 0.70 HTR2A (0.40) NR4A2HTR2AHTR1AHTR2CHTR2B
SCHEMBL29008754 0.70 HTR2A (0.40) NR4A2HTR2AHTR1AHTR2CHTR2B
Phosphoric Acid SCHEMBL8156857 0.70 HTR2A (0.32) NR4A2HTR2AHTR1AHTR2CHTR2B

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
WO-2012003478-A2 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed