SCHEMBL15089335

SCHEMBL15089335

c1ccc(-c2ccc3c4c(cccc24)-c2cc4c(cc2N3c2ccncc2)sc2ccccc24)nc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.32
GABRA1 P14867 1/20 0.32
TGFBR1 P36897 1/20 0.32
HTR2C P28335 1/20 0.30
DCTPP1 Q9H773 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15089334 0.88 ALDH1A1 (0.39) MIFGABRA1TGFBR1HTR2CDCTPP1
SCHEMBL15089415 0.82 METAP1 (0.33) MIFGABRA1TGFBR1HTR2C
SCHEMBL15089325 0.82 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1MAPTHTT
SCHEMBL15089326 0.79 F9 (0.39) KDM4EMEN1ALDH1A1MAPTHTT
SCHEMBL15089405 0.79 COMT (0.32) KDM4EMEN1ALDH1A1MAPTTSHR
SCHEMBL15088999 0.77 HTR2C (0.33) HTR2C
SCHEMBL15089327 0.77 HTT (0.35) MAPTHTT
SCHEMBL15089220 0.76 PDK2 (0.30)
SCHEMBL15089378 0.74 CNR2 (0.36) MIFGABRA1TGFBR1HTR2CDCTPP1
SCHEMBL15089311 0.73 MIF (0.34) MIFGABRA1TGFBR1KDM4EALDH1A1

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
WO-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed