SCHEMBL22155015

SCHEMBL22155015

O=C(Nc1ccnc(Cl)c1)OCC(Cl)(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.54
SMARCA4 P51532 8/20 0.54
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
AR P10275 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC4 P56524 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL22125283 0.83 SMARCA2 (0.60) SMARCA2SMARCA4HDAC4
SCHEMBL9984900 0.81 BCHE (0.56) MAPTNPC1RAB9ABCHEACHE
SCHEMBL3760987 0.81 POLB (0.56) SMARCA2SMARCA4NPC1RAB9ABCHE
SCHEMBL17804195 0.78 SMARCA2 (0.64) SMARCA2SMARCA4ARSMN1; SMN2
SCHEMBL3765780 0.78 BCHE (0.41) MAPTNPC1RAB9ABCHEMEN1
SCHEMBL13139726 0.77 POLB (0.68) SMARCA2SMARCA4MAPTNPC1RAB9A
SCHEMBL5145795 0.76 SMARCA2 (0.65) SMARCA2SMARCA4ARMEN1LMNA
SCHEMBL1501665 0.76 SMARCA2 (0.57) SMARCA2SMARCA4AR
SCHEMBL9599834 0.76 SMARCA2 (0.86) SMARCA2SMARCA4MAPTNPC1RAB9A
SCHEMBL10778464 0.74 NPC1 (0.54) MAPTNPC1RAB9AMEN1LMNA

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-2020126968-A2 UREA DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed