SCHEMBL8631393

SCHEMBL8631393

COc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(CC#N)c2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GGT1 P19440 1/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 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
SCHEMBL8631944 0.91 KMT2A (0.44) KMT2AGAASTAT3ALDH1A1GGT1
SCHEMBL8628839 0.90 EDNRB (0.41) KMT2AALDH1A1MAPTSMN1; SMN2PPARG
SCHEMBL8632202 0.89 MAPT (0.39) KMT2AGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL8630859 0.88 PTGS2 (0.44) KMT2AMAPTPOLBMEN1NPSR1
SCHEMBL8634609 0.88 KMT2A (0.45) KMT2AGAASTAT3ALDH1A1GGT1
SCHEMBL8631576 0.87 MAPT (0.41) KMT2AGAAALDH1A1MAPTPOLB
SCHEMBL8629104 0.87 ALDH1A1 (0.36) KMT2AGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL8631722 0.87 PPARA (0.41) PPARA
SCHEMBL8631438 0.87 CYP1A2 (0.46) KMT2AGAAALDH1A1GGT1MAPT
SCHEMBL8635116 0.85 PTGS2 (0.48) KMT2AGAASTAT3ALDH1A1GGT1

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed