SCHEMBL7309508

SCHEMBL7309508

CC(NC(=O)[C@H]1CSCN1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
CACNA1G O43497 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 2/20 0.44
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL10340446 1.00 RECQL (0.54) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL10340462 1.00 RECQL (0.54) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL7309515 1.00 RECQL (0.54) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL28258588 0.82 RECQL (0.63) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL976838 0.79 RECQL (0.62) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL7313737 0.79 RECQL (0.62) RECQLHPGDLMNAGAAKCNQ3
SCHEMBL7313727 0.79 RECQL (0.62) RECQLHPGDLMNAGAAKCNQ3
Hydrochloric Acid SCHEMBL20489444 0.78 RECQL (0.61) RECQLHPGDLMNAGAAKCNQ3
Hydrochloric Acid SCHEMBL20489442 0.78 RECQL (0.61) RECQLHPGDLMNAGAAKCNQ3
Hydrochloric Acid SCHEMBL20489447 0.78 RECQL (0.61) RECQLHPGDLMNAGAAKCNQ3

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed