SCHEMBL9846737

SCHEMBL9846737

Cc1ccc(OS([NH])=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
TEAD4 Q15561 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
WDR5 P61964 1/20 0.36
CYP2C9 P11712 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL776590 0.80 ACHE (0.48) ACHETSHRCYP3A4LMNACA1
SCHEMBL16804123 0.78 ACHE (0.46) ACHETSHRCYP3A4LMNACA1
SCHEMBL497622 0.76 LMNA (0.46) ACHETSHRCYP3A4LMNACA1
SCHEMBL21077473 0.76 ACHE (0.44) ACHETSHRCYP3A4LMNACA1
SCHEMBL9846739 0.75 LTA4H (0.41) TSHRCA1CA2CA9L3MBTL1
SCHEMBL3883731 0.74 ACHE (0.48) ACHETSHRCYP3A4LMNACA1
SCHEMBL3884014 0.73 HTT (0.48) ACHETSHRCYP3A4LMNACA1
SCHEMBL16625869 0.73 ACHE (0.41) ACHETSHRCYP3A4LMNACA1
SCHEMBL3887583 0.70 ACHE (0.38) ACHETSHRCYP3A4LMNACA1
SCHEMBL27579788 0.70 CA1 (0.44) ACHETSHRCYP3A4LMNACA1

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
EP-0450487-A1 Benzoxazine derivatives, method for their preparation and their use for treating or prophylaxis of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP claimed
EP-0450487-A1 Benzoxazine derivatives, method for their preparation and their use for treating or prophylaxis of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed