SCHEMBL9599403

SCHEMBL9599403

CCCCCCCCc1ccc2c(c1)Cc1cc(-c3nnc(CCCCCC)s3)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
HTR2A P28223 2/20 0.40
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 1/20 0.38
GPR3 P46089 1/20 0.36
QPCTL Q9NXS2 3/20 0.36
QPCT Q16769 3/20 0.36
RARB P10826 2/20 0.36
AKT1 P31749 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IRS1 P35568 1/20 0.35
GAB1 Q13480 1/20 0.35

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
SCHEMBL9844235 1.00 KDM4E (0.48) KDM4ERAB9AHTR2ADRD2SLC6A2
SCHEMBL9597616 0.93 KDM4E (0.48) KDM4ERAB9AHTR2ADRD2SLC6A2
SCHEMBL9597598 0.93 KDM4E (0.48) KDM4ERAB9AHTR2ADRD2SLC6A2
SCHEMBL15164266 0.82 KDM4E (0.68) KDM4ERAB9AHTR2ASLC6A2HTR2C
SCHEMBL9598576 0.81 RAB9A (0.48) KDM4ERAB9AALDH1A1GPR3RARB
SCHEMBL9597624 0.81 RAB9A (0.48) KDM4ERAB9AALDH1A1GPR3RARB
SCHEMBL9702885 0.81 KDM4E (0.66) KDM4ERAB9AHTR2ASLC6A2HTR2C
SCHEMBL10058957 0.81 RAB9A (0.59) KDM4ERAB9AALDH1A1AKT1MEN1
SCHEMBL10058949 0.81 RAB9A (0.59) KDM4ERAB9AALDH1A1AKT1MEN1
SCHEMBL10058950 0.81 RAB9A (0.59) KDM4ERAB9AALDH1A1AKT1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5213709-A Contains thiadiazole ring CANON KABUSHIKI KAISHA (JP) 1993-05-25 US disclosed
EP-0455219-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-11-06 EP disclosed