SCHEMBL28987464

SCHEMBL28987464

CS(=O)(=O)N=CCC1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
NFKB1 P19838 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8907652 0.69 TDP1 (0.37) ALOX15TSHR
SCHEMBL6747253 0.69 EPHX1 (0.36) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL26694 0.69 GABRA5 (0.39) ALOX15TSHRLMNACYP3A4GABRA1
SCHEMBL6535865 0.69 TSHR (0.47) ALOX15TSHRLMNACYP3A4GABRA1
SCHEMBL454712 0.68
SCHEMBL27527086 0.68
Hydrochloric Acid SCHEMBL27741891 0.67 ALOX15 (0.46) ALOX15TSHRGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL1902054 0.67 GABRA5 (0.38) ALOX15TSHRLMNACYP3A4GABRA1
SCHEMBL7138787 0.67 GBA1 (0.38) ALOX15TSHRGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL23199282 0.66 GABRA5 (0.40) ALOX15TSHRLMNACYP3A4GABRA1

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
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed