SCHEMBL10880969

SCHEMBL10880969

COc1nc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2SC(F)F)n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AGTR1 P30556 3/20 0.30
AGTR2 P50052 3/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10876993 0.94 MEN1 (0.36) TSHRMEN1KMT2AAGTR1AGTR2
SCHEMBL10876985 0.85 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL10880864 0.83 SMN1; SMN2 (0.46) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15026845 0.83 ALKBH2 (0.38) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10875474 0.83 SMN1; SMN2 (0.38) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10751914 0.82 MEN1 (0.38) TSHRSMN1; SMN2MEN1KMT2AATM
SCHEMBL16169466 0.82 MEN1 (0.36) TSHRSMN1; SMN2MEN1KMT2AATM
SCHEMBL10475119 0.81 MEN1 (0.39) TSHRSMN1; SMN2MEN1KMT2AATM
SCHEMBL11170537 0.81 MAPT (0.43) SMN1; SMN2ALDH1A1
SCHEMBL66383 0.81 CA1 (0.42) SMN1; SMN2MEN1KMT2A

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
US-H168-H Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-02 US claimed
US-H168-H Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-02 US disclosed