SCHEMBL9870338

SCHEMBL9870338

COCCOc1cccc(F)c1NS(=O)(=O)c1nc2nc(C)cc(C)n2n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
POLB P06746 3/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8374453 0.90 TSHR (0.53) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL8358988 0.89 POLB (0.54) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL27390670 0.89 TSHR (0.58) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL8357186 0.86 TSHR (0.55) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL9830484 0.85 TSHR (0.58) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL9831351 0.85 TSHR (0.64) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL8358907 0.84 TSHR (0.57) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL8358867 0.83 TSHR (0.58) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL9832035 0.82 TSHR (0.60) TSHRPOLBRAB9AALDH1A1USP2
SCHEMBL9869243 0.81 TSHR (0.60) TSHRPOLBALDH1A1USP2LMNA

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-5071468-A Cereal selectivity SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-12-10 US disclosed