SCHEMBL6966890

SCHEMBL6966890

COc1cccc(-c2[nH]nc(N3CCN(c4ccccc4)CC3)c2N=C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR7 P34969 3/20 0.43
HTR1A P08908 2/20 0.43
HTR2B P41595 2/20 0.43
HTR3A P46098 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43
GSK3B P49841 1/20 0.43
SMO Q99835 1/20 0.42
FGFR1 P11362 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL6956633 0.89 MAPT (0.44) SMOMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6955336 0.87 POLB (0.42) HTR7HTR1AHTR2BHTR3AHTR2A
SCHEMBL6961535 0.86 KIT (0.47) KITHTR7GSK3BMAPTALDH1A1
SCHEMBL6954193 0.86 ALDH1A1 (0.44) HTR7HTR1AHTR2BHTR3AMAPT
SCHEMBL6952938 0.84 MAP4K1 (0.41) HTR7ALDH1A1HPGD
SCHEMBL6959299 0.84 MEN1 (0.42) ABCG2HTR1AMAPTHPGDLMNA
SCHEMBL6959773 0.82 KIT (0.38) KITHTR7MAPTALDH1A1SMN1; SMN2
SCHEMBL6966648 0.81 TP53 (0.41) HTR1ASMOMAPTALDH1A1SMN1; SMN2
SCHEMBL6965770 0.81 MAPT (0.42) ABCG2HTR7HTR1ASMOMAPT
SCHEMBL6966403 0.81 FYN (0.43) CYP1A2CYP2C19HTR7HTR2BHTR3A

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-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed