SCHEMBL9876957

SCHEMBL9876957

CCC(C(=O)NCCCNC(C)(C)C)n1ncc(-c2ccc(OC)cc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
CTSK P43235 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 2/20 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
SCHEMBL9877007 0.78 GFER (0.50) GFERALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL9877727 0.75 GFER (0.37) GFERALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL9877815 0.71 NPC1 (0.41) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL9877735 0.70 PTGIR (0.48) ALDH1A1SMN1; SMN2NPSR1TP53RAB9A
SCHEMBL9877992 0.66 MAPK1 (0.51) GFERALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL9878718 0.64 PTGIR (0.47) ALDH1A1SMN1; SMN2MAPK1TP53RAB9A
SCHEMBL9877360 0.63 SMN1; SMN2 (0.65) GFERALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL9877869 0.62 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2POLBTSHR
SCHEMBL9877332 0.61 MAPT (0.54) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL8765117 0.61 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2POLBHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed