SCHEMBL8556972

SCHEMBL8556972

COc1ccc(-c2oc(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 1/20 0.49
GGT1 P19440 1/20 0.49
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
PTPN2 P17706 2/20 0.45
PTPN1 P18031 2/20 0.45
PTPN5 P54829 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL8561648 0.90 PIK3CD (0.46) ALDH1A1KMT2AGGT1MAPTLMNA
SCHEMBL8557471 0.89 MAPT (0.48) ALDH1A1KMT2AMAPTLMNAPTPN2
SCHEMBL8561015 0.89 MAPT (0.48) ALDH1A1GGT1MAPTLMNATP53
SCHEMBL8560574 0.88 MAPT (0.46) ALDH1A1KMT2AMAPTLMNAPTPN2
SCHEMBL8559429 0.86 AAK1 (0.45) ALDH1A1MAPTLMNATP53POLB
SCHEMBL8553427 0.85 PIK3CD (0.48) ALDH1A1KMT2AGGT1MAPTLMNA
SCHEMBL8559708 0.85 MAPT (0.46) ALDH1A1KMT2AMAPTPTPN2PTPN1
SCHEMBL8560337 0.85 MAPT (0.50) ALDH1A1KMT2AMAPTLMNAPTPN2
SCHEMBL8559037 0.85 MAPT (0.46) ALDH1A1GGT1MAPTLMNATP53
SCHEMBL9025550 0.84 AR (0.46) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed