SCHEMBL29452018

SCHEMBL29452018

Cc1c(N)cccc1S(=O)(=O)N1CCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 5/20 0.51
HTT P42858 2/20 0.50
MCOLN3 Q8TDD5 2/20 0.50
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11200997 0.83 TSHR (0.65) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8140330 0.83 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1439966 0.83 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10876385 0.81 SMN1; SMN2 (0.62) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5342056 0.81 TSHR (0.71) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7837749 0.81 SMN1; SMN2 (0.77) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12086998 0.81 TSHR (0.61) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1299167 0.80 TSHR (0.68) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1121460 0.79 SMN1; SMN2 (0.59) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8514786 0.76 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19SMN1; SMN2

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed