SCHEMBL11836622

SCHEMBL11836622

O=C1C2SCCSC2C(=O)N1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.57
SCN2A Q99250 1/20 0.55
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.46
BCL2A1 Q16548 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL11836837 0.78 HPN (0.43) HPNSCN2AMEN1KMT2AGAA
SCHEMBL11842845 0.77 MGLL (0.51) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL11836629 0.75 SCN2A (0.68) HPNSCN2AMEN1KMT2AMAPT
SCHEMBL10854270 0.75 HPN (0.68) HPNSCN2AMEN1KMT2AGAA
SCHEMBL3190723 0.75 HPN (0.55) HPNSCN2AMEN1KMT2AGAA
SCHEMBL3190732 0.75 HPN (0.55) HPNSCN2AMEN1KMT2AGAA
SCHEMBL3190715 0.75 HPN (0.55) HPNSCN2AMEN1KMT2AGAA
SCHEMBL11836918 0.74 MEN1 (0.53) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL3868871 0.74 HPN (0.60) HPNSCN2AMEN1KMT2AGAA
SCHEMBL2029909 0.73 HPN (1.00) HPNSCN2AMEN1KMT2AGAA

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
US-3966931-A TRANQUILIZERS, ANTICONVULSANTS, HYPNOSIS RHONE-POULENC S.A. (FR) 1976-06-29 US disclosed
US-3948917-A TRANQUILIZERS, ANTICONVULSANTS, DECONTRACTURANTS, HYPNOSIS RHONE-POULENC S.A. (FR) 1976-04-06 US disclosed