SCHEMBL9766093

SCHEMBL9766093

O=S(=O)(NC(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)c2ccccc12)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.73
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
DRD2 P14416 1/20 0.49
HTR1A P08908 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
SCHEMBL9765977 0.84 SIGMAR1 (1.00) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9766006 0.79 SIGMAR1 (1.00) SIGMAR1KDM4ECYP1A2GAACYP2C9
Hydrochloric Acid SCHEMBL9766032 0.79 SIGMAR1 (0.98) SIGMAR1KDM4ECYP1A2GAACYP2C9
Ammonia Solution, Strong SCHEMBL9765999 0.71 SIGMAR1 (0.98) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL10435258 0.71 SIGMAR1 (0.56) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9766035 0.71 SIGMAR1 (0.65) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9766068 0.70 SIGMAR1 (1.00) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9766030 0.69 SIGMAR1 (0.68) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9766055 0.69 SIGMAR1 (0.64) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9766037 0.68 SIGMAR1 (0.68) SIGMAR1KDM4ECYP1A2GAACYP2C9

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
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US claimed