SCHEMBL9870388

SCHEMBL9870388

C=CCOc1cccc(Cl)c1NS(=O)(=O)c1nc2nc(C)cc(C)n2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8357186 0.89 TSHR (0.55) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL8355154 0.88 TSHR (0.57) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL9869243 0.88 TSHR (0.60) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL9869535 0.86 TSHR (0.56) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL8358907 0.85 TSHR (0.57) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL8359031 0.84 TSHR (0.54) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL8351627 0.84 TSHR (0.59) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL7910513 0.84 TSHR (0.64) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL8355675 0.84 TSHR (0.53) TSHRUSP2ALDH1A1LMNAPOLB
SCHEMBL8352694 0.84 TSHR (0.53) TSHRUSP2ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2212489-A None JP disclosed
US-5071468-A Cereal selectivity SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-12-10 US disclosed
JP-H02212489-A HETEROCYCLIC TRIAZOLOPYRIMIDINE HERBICIDE SHELL INTERNATL RES MAATSCHAPPIJ BV 1990-08-23 JP disclosed