SCHEMBL31369246

SCHEMBL31369246

N[C@@H](c1ncc(Br)cc1F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ABHD6 Q9BV23 1/20 0.31

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
Hydrochloric Acid SCHEMBL22713272 0.80
Hydrochloric Acid SCHEMBL22713275 0.80
SCHEMBL16089014 0.78 S1PR1 (0.41) S1PR1S1PR3HTTKMT2AIDO1
SCHEMBL16089012 0.78 S1PR1 (0.41) S1PR1S1PR3HTTKMT2AIDO1
SCHEMBL2949201 0.78 S1PR1 (0.41) S1PR1S1PR3HTTKMT2AIDO1
Hydrochloric Acid SCHEMBL22713201 0.77 S1PR3 (0.40) S1PR1S1PR3HTT
Hydrochloric Acid SCHEMBL22713199 0.77 S1PR3 (0.40) S1PR1S1PR3HTT
SCHEMBL17688589 0.77 OPRK1 (0.33) S1PR1S1PR3HTTKMT2AABHD6
SCHEMBL17688590 0.77 OPRK1 (0.33) S1PR1S1PR3HTTKMT2AABHD6
SCHEMBL22866664 0.75 HTT (0.40) S1PR1S1PR3HTTKMT2AALOX5AP

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
WO-2025059027-A1 CYCLOPENTA[E]PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS MALT1 INHIBITORS SCHRÖDINGER, INC. (US) 2025-03-20 WO disclosed