SCHEMBL2296753

SCHEMBL2296753

CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR6 P50406 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 3/20 0.32
HTR1A P08908 2/20 0.32
KCNN4 O15554 1/20 0.32
ROCK2 O75116 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL29354371 0.93 HTR6 (0.36) MAPTMEN1KMT2AALDH1A1HTR6
SCHEMBL29353225 0.93 HTR6 (0.36) MAPTMEN1KMT2AALDH1A1HTR6
SCHEMBL21788 0.93 HTR6 (0.36) MAPTMEN1KMT2AALDH1A1HTR6
SCHEMBL4988734 0.92 HTR6 (0.34) MAPTALDH1A1HTR6LMNASMN1; SMN2
SCHEMBL28174897 0.90 HTR6 (0.33) HTR6KCNN4
Bromide SCHEMBL1030113 0.90 HTR6 (0.35) MAPTALDH1A1HTR6LMNAKCNN4
SCHEMBL19469290 0.89 HTR6 (0.34) MAPTALDH1A1HTR6LMNAKCNN4
SCHEMBL1030115 0.88 HTR6 (0.33) HTR6
SCHEMBL133189 0.85 ALDH1A1 (0.41) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL29353025 0.85 ALDH1A1 (0.41) NPSR1MEN1KMT2AALDH1A1LMNA

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
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
WO-2011100438-A2 MOLECULAR THERMOELECTRIC DEVICE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2011-08-18 WO disclosed