SCHEMBL7744515

SCHEMBL7744515

CS/C(=N\C#N)NCc1ccncc1.NCc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 3/20 0.36
CA9 Q16790 1/20 0.36
RAB9A P51151 1/20 0.36
TPSAB1 Q15661 2/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.35
KLKB1 P03952 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 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
SCHEMBL4685972 0.93 HTT (0.43) HTTALDH1A1L3MBTL1NAMPTCA9
SCHEMBL4685969 0.93 HTT (0.43) HTTALDH1A1L3MBTL1NAMPTCA9
SCHEMBL6641525 0.84 CYP2C9 (0.41) ALDH1A1RAB9ATPSAB1KLKB1MAPT
SCHEMBL13325143 0.79 IDO1 (0.53) ALDH1A1CA9RAB9AGAALMNA
SCHEMBL19494294 0.79 IDO1 (0.53) ALDH1A1CA9RAB9AGAALMNA
SCHEMBL4678197 0.77 HTT (0.58) HTTALDH1A1GAALMNASMN1; SMN2
SCHEMBL4678201 0.77 HTT (0.58) HTTALDH1A1GAALMNASMN1; SMN2
SCHEMBL4679515 0.76 MEN1 (0.45) ALDH1A1RAB9AGAAMAPT
SCHEMBL4679517 0.76 MEN1 (0.45) ALDH1A1RAB9AGAAMAPT
SCHEMBL8566519 0.75 IDO1 (0.36) LOXL2

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
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed