SCHEMBL9560751

SCHEMBL9560751

C=Cc1ccc(OC(=O)C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
KMT2A Q03164 5/20 0.37
PARP10 Q53GL7 2/20 0.37
PARP3 Q9Y6F1 1/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.35
ELANE P08246 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 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
SCHEMBL1883642 0.84 KMT2A (0.47) ALDH1A1TDP1ICAM1SELEKMT2A
SCHEMBL9505653 0.81 KMT2A (0.43) ALDH1A1TDP1KMT2ARAB9AMAPT
SCHEMBL2791741 0.79 ALDH1A1 (0.50) ALDH1A1TDP1ICAM1SELEKMT2A
SCHEMBL28956680 0.79 ALDH1A1 (0.41) ALDH1A1TDP1ICAM1SELEKMT2A
SCHEMBL5831972 0.79 ELANE (0.56) ALDH1A1TDP1KMT2AMAPTKDM4E
SCHEMBL3903145 0.78 ALDH1A1 (0.48) ALDH1A1TDP1KMT2ARAB9AMAPT
SCHEMBL6398442 0.78 THRB (0.55) ALDH1A1TDP1KMT2ARAB9AMAPT
SCHEMBL11768896 0.78 KMT2A (0.49) ALDH1A1TDP1KMT2AMAPTKDM4E
Urea SCHEMBL7262146 0.76 ALDH1A1 (0.65) ALDH1A1TDP1ICAM1SELEPARP10
SCHEMBL72231 0.76 MAPT (0.59) ALDH1A1TDP1KMT2ARAB9AMAPT

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-5198452-A Leukotriene antagonist, lipoxygenase or cyclooxygenase inhibitors, antihistamines or antiallergens YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-03-30 US disclosed
EP-0466125-A2 Styryl compounds and their pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-15 EP disclosed