SCHEMBL8698284

SCHEMBL8698284

CS(=O)(=O)c1ccc(C(=O)C2=C(OC(=O)c3ccccc3)C3CCC(C3)C2=O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
MDM2 Q00987 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2347028 0.82 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL2347024 0.82 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL7993239 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL27716980 0.74 ALDH1A1 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL8694728 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL8943348 0.74 USP7 (0.37) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL7993250 0.74 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6376890 0.73 NPC1 (0.40) ALDH1A1KMT2ARAB9ANPC1LMNA
Hydrazine SCHEMBL27587560 0.72 ALDH1A1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL8695444 0.72 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801120-A HERBICIDES FOR CONTROLLING WEEDS SANDOZ LTD. (CH) 1998-09-01 US disclosed
US-5700762-A HERBICIDES SANDOZ LTD. (CH) 1997-12-23 US disclosed
US-5608101-A HERBICIDES NOVARTIS AG (CH) 1997-03-04 US disclosed