SCHEMBL9243443

SCHEMBL9243443

[CH2]COCCOc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 0.61
KCNA3 P22001 1/20 0.57
HTR1D P28221 3/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.55
SLC6A4 P31645 2/20 0.54
HRH1 P35367 1/20 0.54
HPGD P15428 2/20 0.50
NR2E1 Q9Y466 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL8642238 0.89 HTR1B (0.69) HTR1BKCNA3HTR1DALDH1A1MEN1
SCHEMBL8674828 0.89 HTR1B (0.69) HTR1BKCNA3HTR1DALDH1A1MEN1
SCHEMBL5289923 0.87 HTR1B (0.77) HTR1BKCNA3HTR1DALDH1A1MEN1
SCHEMBL8675367 0.85 HTR1B (0.65) HTR1BKCNA3HTR1DALDH1A1MEN1
SCHEMBL68267 0.83 HTR1B (0.67) HTR1BKCNA3HTR1DALDH1A1MEN1
SCHEMBL240439 0.83 HTR1B (0.60) HTR1BKCNA3HTR1DALDH1A1MEN1
SCHEMBL15295198 0.82 HTR1B (0.71) HTR1BKCNA3HTR1DALDH1A1MEN1
SCHEMBL4059998 0.82 HTR1B (0.61) HTR1BKCNA3HTR1DALDH1A1MEN1
SCHEMBL97164 0.81 HTR1B (0.68) HTR1BKCNA3HTR1DKMT2ASLC6A4
SCHEMBL27421928 0.81 HTR1B (0.56) HTR1BKCNA3HTR1DALDH1A1MEN1

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-5447900-A Fluoran leuco dye and developer RICOH COMPANY, LTD. (JP) 1995-09-05 US disclosed