SCHEMBL20570010

SCHEMBL20570010

O=Cc1nccn1CCCc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL8865441 0.85 TSHR (0.42) LMNA
SCHEMBL17894518 0.83 BRD4 (0.48) BRD4MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9534958 0.80 GSK3A (0.44)
SCHEMBL14476612 0.79 BRD4 (0.48) BRD4MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL15332214 0.78 KMT2A (0.38) MEN1ALDH1A1KMT2A
SCHEMBL20569246 0.78 TLR8 (0.53) BRD4FLT1KDRMEN1ALDH1A1
SCHEMBL20568998 0.76 FLT1 (0.53) FLT1KDRLMNASMN1; SMN2
SCHEMBL16581984 0.76 HTT (0.44) BRD4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5748758 0.76 MCL1 (0.35) FLT1KDRMEN1ALDH1A1KMT2A
SCHEMBL20570323 0.75 KCNH2 (0.49) FLT1KDRMEN1ALDH1A1CYP1A2

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-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed