SCHEMBL23021469

SCHEMBL23021469

CCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ MAPT P10636 3/20 0.58
▸ STAT1 P42224 1/20 0.58
▸ PDE4B Q07343 1/20 0.52
▸ TP53 P04637 4/20 0.52
▸ RORC P51449 6/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL20282907 0.84 RORC (0.56) RORCALDH1A1NAMPTKMT2A
SCHEMBL23021430 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTSTAT1
SCHEMBL17117257 0.80 ALDH1A1 (0.53) ALDH1A1POLBNAMPTKMT2ANPSR1
SCHEMBL12686296 0.80 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTSTAT1
SCHEMBL21783621 0.80 RORC (0.49) RORCALDH1A1NAMPTKMT2A
SCHEMBL20282922 0.80 RORC (0.49) RORCALDH1A1NAMPTKMT2A
SCHEMBL21783706 0.77 RORC (0.47) RORCALDH1A1NAMPT
SCHEMBL20282923 0.77 RORC (0.47) RORCALDH1A1NAMPT
SCHEMBL21783730 0.76 RORC (0.41) PDE4BRORCNAMPTKMT2A
SCHEMBL17117227 0.76 ALDH1A1 (0.56) PDE4BALDH1A1POLBNAMPTKMT2A

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-3555065-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2021-02-24 — — EP disclosed
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