SCHEMBL16213804

SCHEMBL16213804

C=NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.57
RXRB P28702 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RXRG P48443 2/20 0.57
TSHR P16473 1/20 0.57
SRD5A2 P31213 2/20 0.56
NR4A2 P43354 5/20 0.56
NR4A1 P22736 2/20 0.52
NR4A3 Q92570 2/20 0.52
KMT2A Q03164 2/20 0.51
MAOB P27338 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL16213801 0.90 KMT2A (0.55) SMN1; SMN2NR4A2KMT2AMAOBNPC1
SCHEMBL14240817 0.88 RXRA (0.57) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL14166035 0.85 RXRA (0.54) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL19984677 0.81 RXRA (0.57) RXRARXRBSMN1; SMN2RXRGTSHR
Hydrochloric Acid SCHEMBL15768201 0.80 SMN1; SMN2 (0.60) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL19984429 0.78 CHRM3 (0.62) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL20373866 0.78 CHRM3 (0.62) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL14240961 0.78 KMT2A (0.55) SMN1; SMN2NR4A2KMT2AMAOBNPC1
SCHEMBL20373372 0.77 CHRM3 (0.61) RXRARXRBSMN1; SMN2RXRGTSHR
SCHEMBL1750167 0.77 NR4A2 (0.86) RXRARXRBSMN1; SMN2RXRGTSHR

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
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed