SCHEMBL20140025

SCHEMBL20140025

Cc1c(Br)cccc1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
LMNA P02545 4/20 0.76
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
TSHR P16473 4/20 0.68
USP2 O75604 3/20 0.68
HTT P42858 2/20 0.59
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.53
POLB P06746 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
SCHEMBL15347660 0.87 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL2376640 0.82 L3MBTL1 (0.55) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL16344196 0.82 GAA (0.59) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL10724385 0.82 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL2375485 0.81 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL20140579 0.81 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL20140910 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL2379156 0.79 CNR1 (0.51) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL28810515 0.77 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL2377343 0.77 FNTA (0.47) ALDH1A1LMNAMEN1KMT2ATSHR

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed