SCHEMBL20140910

SCHEMBL20140910

C=Cc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TSHR P16473 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
USP2 O75604 3/20 0.62
LMNA P02545 4/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 1/20 0.47
HSP90AA1 P07900 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL20140579 0.88 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL20140025 0.80 ALDH1A1 (0.76) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL10724385 0.79 ALDH1A1 (1.00) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL9565911 0.73 ALDH1A1 (0.81) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL27295608 0.72 ALDH1A1 (0.76) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL5082542 0.72 TSHR (0.47) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL15347660 0.72 ALDH1A1 (1.00) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL12172775 0.71 ALDH1A1 (0.74) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL5542168 0.71 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2AUSP2
SCHEMBL18046217 0.71 ALDH1A1 (0.61) ALDH1A1TSHRMEN1KMT2AUSP2

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