SCHEMBL8869050

SCHEMBL8869050

O=C(NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1)c1ccc(C(=O)NCCO)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 3/20 0.47
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
CNR1 P21554 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
BLM P54132 1/20 0.45
P4HTM Q9NXG6 2/20 0.45
ALDH1A1 P00352 2/20 0.44
S1PR1 P21453 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43

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
SCHEMBL8867983 0.91 LMNA (0.47) SMN1; SMN2TSHRMAPK1LMNACYP3A4
SCHEMBL9138724 0.87 P4HTM (0.61) SMN1; SMN2TSHRMAPK1LMNAP4HTM
SCHEMBL8869573 0.87 MAPT (0.56) SMN1; SMN2TSHRMAPK1LMNACYP3A4
SCHEMBL7870524 0.87 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPK1LMNAMAPT
SCHEMBL9138365 0.85 LMNA (0.52) SMN1; SMN2TSHRMAPK1LMNAMAPT
SCHEMBL8868071 0.84 LMNA (0.55) SMN1; SMN2TSHRLMNACYP3A4HTR1A
SCHEMBL8868894 0.83 P4HTM (0.51) P4HTMALDH1A1MEN1KMT2AEGFR
SCHEMBL8868261 0.81 P4HTM (0.49) SMN1; SMN2LMNACYP2C9CYP2C19P4HTM
SCHEMBL8869420 0.81 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNACYP3A4HTR1A
SCHEMBL8868551 0.80 P4HTM (0.47) SMN1; SMN2LMNAMAPTCYP2C19P4HTM

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-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed