SCHEMBL8094380

SCHEMBL8094380

COc1nc(C)c(C)cc1NC(=O)N1CCN(c2ccccc2CS)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.46
PANK3 Q9H999 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 4/20 0.44
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL6966645 0.86 MAPT (0.60) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL9058218 0.85 PANK3 (0.62) RBP4PANK3MAPTRAB9AHTR1A
SCHEMBL8700515 0.84 KDM4E (0.48) RBP4PANK3MAPTRAB9ATRPV1
SCHEMBL8705827 0.84 LMNA (0.61) RBP4MAPTRAB9ATRPV1HTR1A
SCHEMBL6966961 0.83 RBP4 (0.46) RBP4PANK3MAPTRAB9ATRPV1
SCHEMBL6964018 0.83 KMT2A (0.47) RBP4PANK3MAPTRAB9ATRPV1
SCHEMBL8699977 0.83 MAPT (0.48) RBP4PANK3MAPTRAB9ATRPV1
SCHEMBL6652808 0.83 RBP4 (0.57) RBP4MAPTHTR1AHTR1DHTR1B
SCHEMBL8705064 0.82 HTR1A (0.52) RBP4PANK3MAPTRAB9ATRPV1
SCHEMBL8701091 0.81 THRB (0.55) PANK3MAPTRAB9AHTR1AHTR1D

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-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed