SCHEMBL8645313

SCHEMBL8645313

O=C1CN(CC(O)CN2CCOCC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.46
USP2 O75604 1/20 0.44
PER2 O15055 3/20 0.44
CRY1 Q16526 2/20 0.44
CRY2 Q49AN0 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MDM2 Q00987 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PLK1 P53350 1/20 0.42
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40

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
Ethylene SCHEMBL8646719 0.98 TDP1 (0.48) TDP1ATMUSP2PER2CRY1
SCHEMBL8646533 0.82 TDP1 (0.53) TDP1USP2SMN1; SMN2TSHRMDM2
Fumaric Acid SCHEMBL8649180 0.76 TDP1 (0.49) TDP1USP2SMN1; SMN2TSHRMDM2
Fumaric Acid SCHEMBL8649177 0.76 TDP1 (0.49) TDP1USP2SMN1; SMN2TSHRMDM2
SCHEMBL8283006 0.74 TDP1 (0.62) TDP1ATMPER2CRY1CRY2
SCHEMBL8644469 0.74 TDP1 (0.50) TDP1ATMSMN1; SMN2TSHRMDM2
Hydrochloric Acid SCHEMBL8648976 0.73 TDP1 (0.49) TDP1ATMSMN1; SMN2TSHRMDM2
SCHEMBL8285114 0.73 USP2 (0.56) ATMUSP2SMN1; SMN2TSHRKMT2A
SCHEMBL8644541 0.72 ACHE (0.46) TDP1SMN1; SMN2TSHRMDM2KMT2A
Hydrochloric Acid SCHEMBL8646984 0.71 ACHE (0.46) TDP1SMN1; SMN2TSHRMDM2KMT2A

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-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
EP-0753514-A1 ALKYLENEDIAMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-01-15 EP disclosed