SCHEMBL23716273

SCHEMBL23716273

Cc1cc(ONNC(C(=O)NCc2ccccc2)c2ccccc2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GPR88 Q9GZN0 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
S1PR3 Q99500 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
PKM P14618 1/20 0.41
MCL1 Q07820 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23716012 0.77 SLC1A3 (0.48) GPR88S1PR3MCL1SMN1; SMN2
SCHEMBL23716026 0.77 SMN1; SMN2 (0.53) GPR88S1PR3SMN1; SMN2
SCHEMBL10637909 0.77 SMN1; SMN2 (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23715833 0.75 MEN1 (0.50) ALDH1A1RAB9AMEN1KMT2AF2
SCHEMBL10634172 0.75 PPARG (0.46) ALDH1A1GPR88NPC1RAB9AMRGPRX4
SCHEMBL4793272 0.75 KMT2A (0.56) GPR88MEN1KMT2AF2F10
SCHEMBL23715903 0.74 S1PR1 (0.43) ALDH1A1S1PR3
SCHEMBL21995195 0.72 MEN1 (0.60) GPR88MEN1KMT2AF2F10
SCHEMBL23715936 0.70 NPC1 (0.44) ALDH1A1NPC1RAB9AMAPT
SCHEMBL12168556 0.70 CA12 (0.61) ALDH1A1GPR88MEN1KMT2AF2

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