SCHEMBL20139281

SCHEMBL20139281

Cn1cc([CH]Cc2cccc(Cl)c2)cc1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GRM5 P41594 1/20 0.48
HTR1A P08908 3/20 0.47
HTR7 P34969 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20139683 0.81 KMT2A (0.51) POLBTHRBMEN1KMT2AALDH1A1
SCHEMBL20140717 0.76 KMT2A (0.49) POLBTHRBMEN1KMT2AALDH1A1
SCHEMBL20159302 0.74 TP53 (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL20159024 0.70 MTOR (0.64) POLBMEN1KMT2AHTR1AHTR7
SCHEMBL16501806 0.69 MEN1 (0.78) MEN1KMT2AGRM5HTR1AHTR7
SCHEMBL6263437 0.68 ALDH1A1 (0.64) POLBMEN1KMT2AHTR1AHTR7
SCHEMBL5763767 0.68 ALDH1A1 (0.57) MEN1KMT2AHTR1AHTR7ALDH1A1
SCHEMBL6495850 0.67 ALDH1A1 (0.66) MEN1KMT2AHTR1AHTR7ALDH1A1
SCHEMBL5751986 0.67 MEN1 (0.61) MEN1KMT2AHTR1AHTR7ALDH1A1
SCHEMBL9320601 0.66 MEN1 (0.68) MEN1KMT2AGRM5HTR1AHTR7

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed