SCHEMBL7961206

SCHEMBL7961206

CC(C)c1ccc(NC=O)cc1.Clc1cc(Cl)c2ncnc(N3CCNCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CYP2C19 P33261 1/20 0.40
KIT P10721 3/20 0.39
PDGFRB P09619 2/20 0.39
FLT3 P36888 2/20 0.39
PDGFRA P16234 1/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
HTR2C P28335 4/20 0.38
HTR2A P28223 1/20 0.37
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HTR6 P50406 2/20 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
SCHEMBL2920098 0.80 CYP1A2 (0.52) LMNACYP1A2CYP3A4CLK4CYP2C19
SCHEMBL2920237 0.77 PDGFRB (0.65) KITPDGFRBFLT3PDGFRA
SCHEMBL27734124 0.72 FLT3 (0.67) KITPDGFRBFLT3
Piperazine SCHEMBL27734165 0.70 TYR (0.42) LMNACYP1A2CYP3A4CYP2C19HTR2A
SCHEMBL28775244 0.66 FLT3 (0.66) KITPDGFRBFLT3
SCHEMBL2923601 0.66 CYP1A2 (0.55) LMNACYP1A2CYP3A4CLK4CYP2C19
SCHEMBL19695809 0.66 HTT (0.51) LMNACYP1A2CYP3A4CLK4CYP2C19
SCHEMBL2924702 0.65 PDGFRB (0.56) LMNAKITPDGFRBFLT3PDGFRA
SCHEMBL2086181 0.64 TYR (0.52) LMNAMAPK1
SCHEMBL19695793 0.64 HTT (0.49) LMNACYP1A2CYP3A4CLK4CYP2C19

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
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed