SCHEMBL27430698

SCHEMBL27430698

Cc1cc(C)c(C(C)(C)C)c(C)c1CN

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
HTR1B P28222 1/20 0.36
SLC11A2 P49281 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
POLB P06746 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 SCHEMBL11678372 0.81 HTR1D (0.35) HTR1DHTR1BPOLB
SCHEMBL2810770 0.79 SLC11A2 (0.45) HTR1DHTR1BSLC11A2PGK1PGK2
SCHEMBL392356 0.75 SLC11A2 (0.38) HTR1DSLC11A2PGK1PGK2
SCHEMBL11223055 0.73 HTR1D (0.68) HTR1DHTR1BPOLB
SCHEMBL10256239 0.71 HTR1D (0.39) HTR1DHTR1BPOLB
SCHEMBL31351484 0.70 THRA (0.44) HTR1DHTR1B
SCHEMBL2371105 0.70 CA1 (0.39) HTR1DHTR1BSLC11A2PGK1PGK2
SCHEMBL185064 0.70 LMNA (0.32)
SCHEMBL395734 0.69 SLC11A2 (0.35) HTR1DSLC11A2PGK1PGK2
SCHEMBL5351820 0.67 HTR1D (0.33) HTR1DHTR1BPOLB

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-4393720-A1 PHOSPHINE OXIDE-BASED PHOTOINITIATORS ARKEMA FRANCE (FR) 2024-07-03 EP disclosed