SCHEMBL27679460

SCHEMBL27679460

O=S(=O)(O)c1cc[c]cc1.[Ni]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 7/20 0.48
NT5E P21589 1/20 0.48
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 4/20 0.37
NAPRT Q6XQN6 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ING2 Q9H160 1/20 0.33
CYP2C19 P33261 2/20 0.33
TIMP3 P35625 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
Water SCHEMBL28012117 0.97 TSHR (0.55) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL50583 0.97 TSHR (0.55) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL2174084 0.95 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL4833872 0.95 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL27579780 0.95 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL27450647 0.95 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
Lithium Ion SCHEMBL28696465 0.84 ALDH1A1 (0.45) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL8510776 0.83 LMNA (0.50) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL8507889 0.83 LMNA (0.50) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL9153268 0.78 SMN1; SMN2 (0.47) TSHRSMN1; SMN2LMNAALDH1A1NT5E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1885438-B Microtip line array device INST OF MICROELECTRONICS CAS 2010-11-24 CN claimed
CN-1885438-A Microtip line array device INST OF MICROELECTRONICS CAS (CN) 2006-12-27 CN claimed
CN-1885438-B Microtip line array device INST OF MICROELECTRONICS CAS 2010-11-24 CN disclosed
CN-1885438-A Microtip line array device INST OF MICROELECTRONICS CAS (CN) 2006-12-27 CN disclosed