SCHEMBL19976904

SCHEMBL19976904

CCc1nn(CCCC(=O)NC)c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
SLC22A12 Q96S37 6/20 0.39
MAPK8 P45983 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
SLC6A4 P31645 3/20 0.37
KMO O15229 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.35
TDO2 P48775 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16675973 0.83 MPO (0.41) MPOSLC22A12MAPK8KDM4CPOLB
SCHEMBL19976788 0.81 SCN5A (0.40) MPOSLC22A12KDM4C
SCHEMBL18556901 0.79 HASPIN (0.43) SLC22A12KDM4CHTR2AHTR2CSLC6A4
Fumaric Acid SCHEMBL5678039 0.75 SLC22A12 (0.47) SLC22A12KDM4CKMOTDO2
SCHEMBL24045599 0.75 ADORA2A (0.43) SLC22A12HTR2AHTR2CMAPT
SCHEMBL13106217 0.71 GRM4 (0.43) SLC22A12MAPK8KDM4CHTR2ASLC6A4
Fumaric Acid SCHEMBL5678044 0.68 SLC22A12 (0.45) SLC22A12KDM4CHTR2AHTR2CLMNA
Fumaric Acid SCHEMBL5678027 0.68 SLC22A12 (0.45) SLC22A12KDM4CHTR2AHTR2CLMNA
SCHEMBL5678084 0.68 BRD4 (0.37) SLC22A12POLBLMNAMEN1KMT2A
SCHEMBL5678090 0.68 BRD4 (0.37) SLC22A12POLBLMNAMEN1KMT2A

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
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed