SCHEMBL30132112

SCHEMBL30132112

CC(=O)N(C)c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.48
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 3/20 0.38
S1PR4 O95977 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
AKR1B1 P15121 1/20 0.38
TSPO P30536 1/20 0.37
MAPT P10636 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL21592410 0.88 S1PR4 (0.47) FSCN1POLBALDH1A1HTTRAB9A
SCHEMBL2090466 0.83 POLB (0.47) FSCN1POLBALDH1A1HTTMEN1
SCHEMBL2090468 0.83 POLB (0.47) FSCN1POLBALDH1A1HTTKMT2A
SCHEMBL12763813 0.81 POLB (0.42) POLBALDH1A1HTTMEN1LMNA
SCHEMBL11616132 0.79 RAB9A (0.48) ALDH1A1HTTRAB9AMEN1LMNA
SCHEMBL11616130 0.79 RAB9A (0.48) ALDH1A1HTTRAB9AMEN1LMNA
SCHEMBL23723677 0.78 HTT (0.44) POLBALDH1A1HTTRAB9AMEN1
SCHEMBL17513418 0.78 FSCN1 (0.53) FSCN1POLBALDH1A1HTTRAB9A
SCHEMBL10441682 0.77 ALDH1A1 (0.40) FSCN1ALDH1A1HTTLMNANOTUM
SCHEMBL6393802 0.77 FSCN1 (0.61) FSCN1POLBALDH1A1HTTRAB9A

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-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed