SCHEMBL10608656

SCHEMBL10608656

O=C(O)c1nc2c(SS)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PIN1 Q13526 2/20 0.39
DHODH Q02127 1/20 0.38
PARP1 P09874 2/20 0.38
CNR1 P21554 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11047665 0.79 KDM4E (0.45) CNR2KDM4EHPGDPIN1DHODH
SCHEMBL7646 0.77 KDM4E (0.46) CNR2KDM4EHPGDPIN1DHODH
SCHEMBL8952887 0.77 KDM4E (0.62) KDM4EHPGDDHODHPARP1
SCHEMBL6988197 0.76 EGLN1 (0.53) CNR2KDM4EHPGDPIN1DHODH
SCHEMBL6961427 0.76 CHEK1 (0.49) CNR2KDM4EHPGDPIN1DHODH
SCHEMBL7699544 0.76 ADORA1 (0.55) CNR2KDM4EHPGDPIN1DHODH
SCHEMBL1144691 0.76 HRH4 (0.59) KDM4EHPGDPIN1HRH4ALDH1A1
SCHEMBL31568976 0.76 ADORA1 (0.55) CNR2KDM4EHPGDPIN1DHODH
SCHEMBL9588521 0.72 CNR2 (0.41) CNR2KDM4EHPGDPIN1DHODH
SCHEMBL9587953 0.72 GRIN2D (0.49) CNR2KDM4EHPGDPIN1DHODH

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
EP-0218511-B1 BINDER-CHARGE BONDING AGENT AND PROPELLANT COMPOSITION CONTAINING IT SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1989-09-06 EP disclosed