SCHEMBL23716261

SCHEMBL23716261

O=C(CCc1ccccc1)C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
FPR2 P25090 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
FFAR1 O14842 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL7584703 0.80 NPC1 (0.53) MEN1KMT2AFPR2RAB9ANPC1
SCHEMBL23715809 0.77 NPC1 (0.50) MEN1KMT2AFPR2RAB9ANPC1
SCHEMBL17664140 0.76 RAB9A (0.56) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL17663794 0.75 NPC1 (0.51) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL17663823 0.73 MEN1 (0.55) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL17663889 0.73 S1PR3 (0.59)
SCHEMBL17663821 0.72 RAB9A (0.64) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL17664138 0.71 ALDH1A1 (0.56) RAB9ANPC1MMP8MMP14CA14
SCHEMBL21391854 0.71 PYGL (0.52) MEN1KMT2AFPR2PLAAT3PLAAT5
SCHEMBL18228901 0.71 PYGL (0.52) MEN1KMT2AFPR2PLAAT3PLAAT5

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed