SCHEMBL5801752

SCHEMBL5801752

N#CCC1=CC=NSc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL10588929 0.73 BCHE (0.34) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL5801660 0.72 KEAP1 (0.42) MAPTMEN1KMT2A
SCHEMBL20263764 0.66 MAPT (0.36) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL27459325 0.62 TSHR (0.42) MAPTHPGDALDH1A1POLB
SCHEMBL10727947 0.62 GPR84 (0.47) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL8086115 0.59 MEN1 (0.34) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL11739195 0.59 GPR84 (0.36) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL8831213 0.58 KDM4E (0.34) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL4137654 0.57 ALDH1A1 (0.47) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL3650633 0.57 TRPA1 (0.33)

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-2006079077-A2 USE OF DILTIAZEM OR ANALOGS THEREOF AS MODULATORS OF GHRELIN RECEPTOR ACADIA PHARMACEUTICALS INC. (US) 2006-07-27 WO disclosed