SCHEMBL17907947

SCHEMBL17907947

O=C1CCc2cc3ccc(C(F)(F)F)cc3n2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP2 O95551 1/20 0.38
NOTUM Q6P988 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAT2A P31153 2/20 0.34
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CCR2 P41597 1/20 0.33
SRD5A1 P18405 1/20 0.33
ALOX5 P09917 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32
CYP11B2 P19099 1/20 0.32
KIF11 P52732 1/20 0.32
HTR7 P34969 1/20 0.32
CDC7 O00311 1/20 0.32
CDK2 P24941 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
SCHEMBL17907965 0.77 HTR2A (0.48) TDP2NOTUMKMT2AMAT2A
SCHEMBL17907930 0.68 HTR2A (0.48) ALDH1A1NOTUMKMT2ACCR2
SCHEMBL17907932 0.68 SIGMAR1 (0.41) ALDH1A1NOTUML3MBTL1
SCHEMBL17907920 0.65 HTR2A (0.51) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9491661 0.63 TDP2 (0.50) TDP2NOTUMPARP1PARP10SRD5A1
SCHEMBL4043789 0.62 HTR2A (0.42) ALDH1A1TDP2CYP11B2KIF11HTR7
SCHEMBL4043791 0.62 HTR2A (0.42) ALDH1A1TDP2CYP11B2KIF11HTR7
SCHEMBL31743109 0.62 BRPF1 (0.52) ALDH1A1MAT2ATRPV1KIF11HTR7
SCHEMBL1770250 0.61 NOTUM (0.35) NOTUMTSHR
SCHEMBL27989957 0.61 ALDH1A1 (0.58) ALDH1A1NOTUMMEN1KMT2AALOX5

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-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed