SCHEMBL23715928

SCHEMBL23715928

NC(O)C(NNOc1cccc(Br)c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.34
AOC3 Q16853 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAN2A1 Q16706 1/20 0.32
MAN1B1 Q9UKM7 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 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
SCHEMBL23716123 0.85 AOC3 (0.42) ALDH1A1AOC3KDM4E
SCHEMBL23715793 0.78 SYK (0.45) IDO1TDO2KMT2AMAOBFNTA
SCHEMBL23716117 0.76 OGG1 (0.38) MAOBAOC3
SCHEMBL23716135 0.68 KMT2A (0.37) KMT2AALDH1A1HSD17B10NPC1RAB9A
SCHEMBL23716290 0.66 SLC6A4 (0.38) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL23715980 0.65 AOC3 (0.32) AOC3
SCHEMBL7885157 0.65 KMT2A (0.54) KMT2AMAOBALDH1A1KDM4ECYP1A2
SCHEMBL20612473 0.63 IDO1 (0.48) IDO1TDO2ALDH1A1
SCHEMBL7145139 0.62 IDO1 (0.45) IDO1TDO2KMT2AALDH1A1KDM4E
SCHEMBL23716036 0.62 AOC3 (0.50) KMT2AALDH1A1HSD17B10AOC3KDM4E

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